CC-1065
                    3D
 Structure written by MMmdl.
 85 94  0  0  1  0            999 V2000
    3.0825   -8.2462    0.4793 O   0  0  0  0  0  0
    4.2707   -3.4855    1.8005 O   0  0  0  0  0  0
    5.2251    2.3678    0.9195 O   0  0  0  0  0  0
    7.6877    3.6971    0.9210 O   0  0  0  0  0  0
    9.9778    4.2383    0.9212 O   0  0  0  0  0  0
   15.3282    4.7475    3.5878 O   0  0  0  0  0  0
   17.8358    4.1090    2.4795 O   0  0  0  0  0  0
   19.4869    2.8514    1.6502 O   0  0  0  0  0  0
    5.3182   -3.9657   -0.1857 N   0  0  0  0  0  0
    4.4487   -9.0492   -1.9718 N   0  0  0  0  0  0
    5.3788   -0.7139    0.9175 N   0  0  0  0  0  0
   10.1820    1.9531    0.9213 N   0  0  0  0  0  0
   12.8864    3.8071    1.9525 N   0  0  0  0  0  0
   17.8462    2.6400   -0.0736 N   0  0  0  0  0  0
   19.5435    1.0982    0.2411 N   0  0  0  0  0  0
    5.1014   -5.4828   -1.9504 C   0  0  2  0  0  0
    6.1329   -4.4821   -2.3650 C   0  0  1  0  0  0
    4.8021   -4.5177   -3.0757 C   0  0  0  0  0  0
    6.3101   -3.5599   -1.1849 C   0  0  0  0  0  0
    4.7434   -5.2089   -0.5200 C   0  0  0  0  0  0
    5.0645   -6.9574   -2.2594 C   0  0  0  0  0  0
    4.3932   -7.7892   -1.4240 C   0  0  0  0  0  0
    4.0640   -6.0615    0.2970 C   0  0  0  0  0  0
    5.5637   -7.7065   -3.3636 C   0  0  0  0  0  0
    3.7569   -7.4398   -0.1589 C   0  0  0  0  0  0
    5.0808   -3.2206    0.9139 C   0  0  0  0  0  0
    5.1697   -9.0077   -3.1584 C   0  0  0  0  0  0
    6.3461   -7.1981   -4.5381 C   0  0  0  0  0  0
    5.9394   -1.9907    0.9164 C   0  0  0  0  0  0
    7.3114   -1.8790    0.9179 C   0  0  0  0  0  0
    7.5498   -0.4876    0.9194 C   0  0  0  0  0  0
    6.3800    0.2340    0.9191 C   0  0  0  0  0  0
    8.7820    0.1470    0.9206 C   0  0  0  0  0  0
    6.4006    1.6450    0.9200 C   0  0  0  0  0  0
    8.8293    1.5403    0.9210 C   0  0  0  0  0  0
   10.1570   -0.4574    0.9211 C   0  0  0  0  0  0
    7.6459    2.3178    0.9208 C   0  0  0  0  0  0
   11.0772    0.7881    0.9207 C   0  0  0  0  0  0
   10.6586    3.2139    0.9212 C   0  0  0  0  0  0
   12.1586    3.2139    0.9212 C   0  0  0  0  0  0
   14.3118    2.9842    0.5186 C   0  0  0  0  0  0
   15.5386    2.6632   -0.0397 C   0  0  0  0  0  0
    4.7290    2.6735   -0.3314 C   0  0  0  0  0  0
   14.2367    3.6675    1.7091 C   0  0  0  0  0  0
   13.0333    2.6825    0.0007 C   0  0  0  0  0  0
   15.8506    1.9218   -1.2968 C   0  0  0  0  0  0
   16.7051    3.0401    0.6164 C   0  0  0  0  0  0
   17.3877    1.8114   -1.1973 C   0  0  0  0  0  0
   15.4076    4.0582    2.3950 C   0  0  0  0  0  0
   16.6699    3.7377    1.8415 C   0  0  0  0  0  0
   19.0193    2.2366    0.6962 C   0  0  0  0  0  0
   15.2939    3.9559    4.7177 C   0  0  0  0  0  0
    6.7947    4.1470    0.9205 H   0  0  0  0  0  0
   17.7081    4.5993    3.3417 H   0  0  0  0  0  0
    4.0229   -9.8616   -1.5440 H   0  0  0  0  0  0
    4.3861   -0.5302    0.9168 H   0  0  0  0  0  0
   12.4690    4.2653    2.7491 H   0  0  0  0  0  0
   19.1919    0.5611   -0.5387 H   0  0  0  0  0  0
   20.3564    0.6339    0.6203 H   0  0  0  0  0  0
    7.0217   -4.8294   -2.8888 H   0  0  0  0  0  0
    4.0869   -3.7212   -2.8801 H   0  0  0  0  0  0
    4.7888   -4.9111   -4.0903 H   0  0  0  0  0  0
    7.3170   -3.6709   -0.7797 H   0  0  0  0  0  0
    6.1714   -2.5236   -1.4972 H   0  0  0  0  0  0
    3.8299   -5.8278    1.3237 H   0  0  0  0  0  0
    5.3289   -9.9006   -3.7471 H   0  0  0  0  0  0
    6.5764   -8.0270   -5.2075 H   0  0  0  0  0  0
    5.7567   -6.4528   -5.0722 H   0  0  0  0  0  0
    7.2737   -6.7452   -4.1882 H   0  0  0  0  0  0
    8.0891   -2.6284    0.9178 H   0  0  0  0  0  0
   10.3021   -1.0741    0.0335 H   0  0  0  0  0  0
   10.3018   -1.0732    1.8094 H   0  0  0  0  0  0
   11.7175    0.8003    1.8041 H   0  0  0  0  0  0
   11.7162    0.8005    0.0363 H   0  0  0  0  0  0
    3.8047    3.2418   -0.2268 H   0  0  0  0  0  0
    5.4613    3.2683   -0.8774 H   0  0  0  0  0  0
    4.5290    1.7520   -0.8782 H   0  0  0  0  0  0
   12.8633    2.1493   -0.9229 H   0  0  0  0  0  0
   15.5412    2.5109   -2.1605 H   0  0  0  0  0  0
   15.3610    0.9481   -1.3241 H   0  0  0  0  0  0
   17.6806    0.7776   -1.0103 H   0  0  0  0  0  0
   17.8650    2.1243   -2.1270 H   0  0  0  0  0  0
   15.2315    4.5888    5.6030 H   0  0  0  0  0  0
   14.4231    3.3017    4.6767 H   0  0  0  0  0  0
   16.2001    3.3521    4.7659 H   0  0  0  0  0  0
  1 25  2  0  0  0
  2 26  2  0  0  0
  3 34  1  0  0  0
  3 43  1  0  0  0
  4 37  1  0  0  0
  4 53  1  0  0  0
  5 39  2  0  0  0
  6 49  1  0  0  0
  6 52  1  0  0  0
  7 50  1  0  0  0
  7 54  1  0  0  0
  8 51  2  0  0  0
  9 19  1  0  0  0
  9 20  1  0  0  0
  9 26  1  0  0  0
 10 22  1  0  0  0
 10 27  1  0  0  0
 10 55  1  0  0  0
 11 29  1  0  0  0
 11 32  1  0  0  0
 11 56  1  0  0  0
 12 35  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 40  1  0  0  0
 13 44  1  0  0  0
 13 57  1  0  0  0
 14 47  1  0  0  0
 14 48  1  0  0  0
 14 51  1  0  0  0
 15 51  1  0  0  0
 15 58  1  0  0  0
 15 59  1  0  0  0
 16 17  1  0  0  0
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 20 23  2  0  0  0
 21 22  2  0  0  0
 21 24  1  0  0  0
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 47 50  2  0  0  0
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M  END
> <s_m_entry_id>
46

> <s_m_entry_name>
CC-1065.1

> <chiral flag>
1

> <version>
0

> <s_m_Source_Path>
D:\Downloads\ADC_temp

> <s_m_Source_File>
CC-1065.sdf

> <i_m_Source_File_Index>
1

> <PUBCHEM_COMPOUND_CID>
9939943

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1610

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/vAAAAAAAAAAAAAAAGAAAAWLFixY8YIEAAAAAAFiB/gAAHgAQCAAADwzBngY/xvPJlgCoA7V3VASCiCA3YiAA2aG97NiPZvLWtbuVcStm1hvb+eeY2fOfoACBQgASUABAAQKEACSgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-hydroxy-2-[[5-hydroxy-4-methoxy-2-[[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl]-oxomethyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-oxomethyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1<I>R</I>,12<I>S</I>)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.0<SUP>1,12</SUP>.0<SUP>2,6</SUP>]trideca-2(6),3,8-triene-10-carbonyl]-7,8-dihydro-3<I>H</I>-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3<I>H</I>-pyrrolo[3,2-e]indole-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-methoxy-2-[[4-methoxy-2-[[(1R,12S)-3-methyl-7-oxidanylidene-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-10-yl]carbonyl]-5-oxidanyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]carbonyl]-5-oxidanyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-hydroxy-2-[5-hydroxy-2-[(1R,12S)-7-keto-3-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrol[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrol[3,2-e]indole-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C37H33N7O8/c1-14-12-39-27-22(45)10-23-37(24(14)27)11-15(37)13-44(23)35(49)21-9-18-16-4-6-42(28(16)30(46)32(51-2)25(18)41-21)34(48)20-8-19-17-5-7-43(36(38)50)29(17)31(47)33(52-3)26(19)40-20/h8-10,12,15,39-41,46-47H,4-7,11,13H2,1-3H3,(H2,38,50)/t15-,37+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
UOWVMDUEMSNCAV-WYENRQIDSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
703.23906104

> <PUBCHEM_MOLECULAR_FORMULA>
C37H33N7O8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CNC2=C1C34CC3CN(C4=CC2=O)C(=O)C5=CC6=C7CCN(C7=C(C(=C6N5)OC)O)C(=O)C8=CC9=C1CCN(C1=C(C(=C9N8)OC)O)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CNC2=C1[C@@]34C[C@@H]3CN(C4=CC2=O)C(=O)C5=CC6=C7CCN(C7=C(C(=C6N5)OC)O)C(=O)C8=CC9=C1CCN(C1=C(C(=C9N8)OC)O)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
210

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
703.23906104

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
52

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
998

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  22  8
10  27  8
11  29  8
11  32  8
13  40  8
13  44  8
16  18  5
17  53  6
21  22  8
21  24  8
24  27  8
29  30  8
30  31  8
31  32  8
31  33  8
32  34  8
33  35  8
34  37  8
35  37  8
40  45  8
41  42  8
41  44  8
41  45  8
42  47  8
44  49  8
47  50  8
49  50  8

> <PUBCHEM_MOLECULAR_WEIGHT>
703.7

$$$$
