Payload Information
General Information of This Payload
| Payload ID | PAY0HGMVM |
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|---|---|---|---|---|---|---|
| Name | Benzodiazepine dimer derivative |
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| Synonyms |
benzodiazepine dimer derivative
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| Target | Toll-like receptor 7 (TLR7); Toll-like receptor 8 (TLR8) | |||||
| Formula | C41H42N4Na2O10S4 |
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| Isosmiles | COC1=CC2=C(NC([Na])[C@@](CC(SC=C3)=C3C4)([H])N4C2)C=C1OCC5=CC(CCOC6=CC(NC([Na])[C@@](CC(SC=C7)=C7C8)([H])N8C9)=C9C=C6OC)=CC=C5.O=S(=O)=O.O=S(=O)=O |
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| InChI |
InChI=1S/C41H42N4O4S2.2Na.2O3S/c1-46-36-13-30-23-44-21-28-7-10-50-40(28)15-32(44)19-42-34(30)17-38(36)48-9-6-26-4-3-5-27(12-26)25-49-39-18-35-31(14-37(39)47-2)24-45-22-29-8-11-51-41(29)16-33(45)20-43-35;;;2*1-4(2)3/h3-5,7-8,10-14,17-20,32-33,42-43H,6,9,15-16,21-25H2,1-2H3;;;;/t32-,33-;;;;/m0..../s1
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| InChIKey |
ILWGGRNWSKJZJW-STNJZNEMSA-N
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| Pharmaceutical Properties | Molecule Weight |
925.053 |
Polar area |
169.88 |
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Complexity |
2568.674334 |
xlogp Value |
4.7131 |
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Heavy Count |
61 |
Rot Bonds |
9 |
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Hbond acc |
16 |
Hbond Donor |
2 |
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Each Antibody-drug Conjugate Related to This Payload