General Information of This Payload
Payload ID
PAY0SVBEB
Name
TW202506738A-C-059-PAYLOAD
Synonyms
TW202506738A-C-059-PAYLOAD
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Structure
Formula
C90H109F2N15O16+2
Isosmiles
C[N+](CC1=CC=C(NC([C@@H](NC(CCC(NCCNCCNC(CCC(N[C@@H](C)C(NC(C=C2)=CC=C2C[N+](C)(C(CC3)CCN3CC4=C5C(C6=CC([C@@]7(O)CC)=C(COC7=O)C(N6C5)=O)=NC8=CC(F)=C(OC)C=C48)C)=O)=O)=O)=O)=O)C)=O)C=C1)(C)C(CC9)CCN9CC%10=C%11C(C%12=CC([C@@]%13(O)CC)=C(COC%13=O)C(N%12C%11)=O)=NC%14=CC(F)=C(OC)C=C%10%14
InChI
InChI=1S/C90H107F2N15O16/c1-11-89(118)67-39-73-81-63(45-104(73)85(114)65(67)49-122-87(89)116)61(59-37-75(120-9)69(91)41-71(59)100-81)43-102-33-25-57(26-34-102)106(5,6)47-53-13-17-55(18-14-53)98-83(112)51(3)96-79(110)23-21-77(108)94-31-29-93-30-32-95-78(109)22-24-80(111)97-52(4)84(113)99-56-19-15-54(16-20-56)48-107(7,8)58-27-35-103(36-28-58)44-62-60-38-76(121-10)70(92)42-72(60)101-82-64(62)46-105-74(82)40-68-66(86(105)115)50-123-88(117)90(68,119)12-2/h13-20,37-42,51-52,57-58,93,118-119H,11-12,21-36,43-50H2,1-10H3,(H4-2,94,95,96,97,98,99,108,109,110,111,112,113)/p+2/t51-,52-,89-,90-/m0/s1
InChIKey
DCXGDKVRDMHDPM-ODAMCAALSA-P
Pharmaceutical Properties
Molecule Weight
1694.947
Polar area
374.41
Complexity
5142.17377
xlogp Value
6.219
Heavy Count
123
Rot Bonds
32
Hbond acc
23
Hbond Donor
9
Each Antibody-drug Conjugate Related to This Payload