Payload Information
General Information of This Payload
| Payload ID | PAY0CKOHR |
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|---|---|---|---|---|---|---|
| Name | Gly-calicheamicin |
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| Synonyms |
Gly-calicheamicin
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| Target(s) | Human Deoxyribonucleic acid (hDNA) | |||||
| Structure |
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| Formula | C66H94IN5O25S3 |
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| Isosmiles | CCN(C(=O)CN)C1COC(OC2C(OC3C#C/C=C\C#CC4(O)CC(=O)C(NC(=O)OC)=C3/C4=C\CSSC(C)(C)CC(=O)NCCOCCOC)OC(C)C(NOC3CC(O)C(SC(=O)c4c(C)c(I)c(OC5OC(C)C(O)C(OC)C5O)c(OC)c4OC)C(C)O3)C2O)CC1OC |
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| InChI |
InChI=1S/C66H94IN5O25S3/c1-14-72(44(76)31-68)38-32-90-45(28-42(38)84-9)95-58-53(78)50(71-97-46-27-39(73)60(36(5)91-46)99-61(80)47-33(2)49(67)56(59(87-12)55(47)85-10)96-62-54(79)57(86-11)52(77)35(4)93-62)34(3)92-63(58)94-41-19-17-15-16-18-21-66(82)29-40(74)51(70-64(81)88-13)48(41)37(66)20-26-98-100-65(6,7)30-43(75)69-22-23-89-25-24-83-8/h15-16,20,34-36,38-39,41-42,45-46,50,52-54,57-58,60,62-63,71,73,77-79,82H,14,22-32,68H2,1-13H3,(H,69,75)(H,70,81)/b16-15-,37-20+
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| InChIKey |
NRVCNGKDFRHVMQ-KNGRRCOISA-N
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| Pharmaceutical Properties | Molecule Weight |
1580.593 |
Polar area |
390.3 |
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Complexity |
100 |
xlogp Value |
2.06442 |
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Heavy Count |
100 |
Rot Bonds |
31 |
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Hbond acc |
30 |
Hbond Donor |
9 |
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Each Antibody-drug Conjugate Related to This Payload
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