Payload Information
General Information of This Payload
| Payload ID | PAY0RRKMH |
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|---|---|---|---|---|---|---|
| Name | T-4 |
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| Synonyms |
T-4
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| Structure |
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| Formula | C72H75N5O26S2 |
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| Isosmiles | COC1=CC(C(N2[C@@](C(N3C(OCC4=CC=C(O[C@H](O5)[C@H](O)[C@@H](O)[C@H](O)[C@H]5C(O)=O)C=C4)=O)O)(C)CC6=C(C2)C=CS6)=O)=C3C=C1OCC7=CC(CN(C)C)=CC(COC8=C(OC)C=C(C9=O)C(N(C(O)[C@]%10([H])CC%11=C(C=CS%11)CN9%10)C(OCC%12=CC=C(O[C@H](O%13)[C@H](O)[C@@H](O)[C@H](O)[C@H]%13C(O)=O)C=C%12)=O)=C8)=C7 |
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| InChI |
InChI=1S/C72H75N5O26S2/c1-72-26-53-40(15-17-105-53)29-75(72)63(85)44-22-49(95-5)51(24-46(44)77(69(72)91)71(93)99-31-35-8-12-42(13-9-35)101-68-59(83)55(79)57(81)61(103-68)66(89)90)97-33-38-19-36(27-73(2)3)18-37(20-38)32-96-50-23-45-43(21-48(50)94-4)62(84)74-28-39-14-16-104-52(39)25-47(74)64(86)76(45)70(92)98-30-34-6-10-41(11-7-34)100-67-58(82)54(78)56(80)60(102-67)65(87)88/h6-24,47,54-61,64,67-69,78-83,86,91H,25-33H2,1-5H3,(H,87,88)(H,89,90)/t47-,54-,55-,56-,57-,58+,59+,60-,61-,64?,67+,68+,69?,72-/m0/s1
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| InChIKey |
BIKXPQMPSUADLN-AHDWLUGVSA-N
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| Pharmaceutical Properties | Molecule Weight |
1490.535 |
Polar area |
413.22 |
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Complexity |
4102.987939 |
xlogp Value |
4.0631 |
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Heavy Count |
105 |
Rot Bonds |
20 |
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Hbond acc |
27 |
Hbond Donor |
10 |
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Each Antibody-drug Conjugate Related to This Payload