Payload Information
General Information of This Payload
| Payload ID | PAY0XKIFN |
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|---|---|---|---|---|---|---|
| Name | Amaninamide (thioether) |
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| Synonyms |
Amaninamide; C39-H54-N10-O13-S; 58311-65-2; LS-190889; Q4739861; 2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide
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| Target(s) | DNA-directed RNA polymerase II subunit RPB2 (POLR2B); DNA-directed RNA polymerase III subunit RPC7 (POLR3G) | |||||
| Structure |
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| Formula | C39H54N10O13S |
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| Isosmiles | CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(CO)O)C5=CC=CC=C5N3 |
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| PubChem CID | ||||||
| InChI |
InChI=1S/C39H54N10O13S/c1-4-17(2)31-36(59)42-12-29(54)43-25-16-63(62)38-21(20-7-5-6-8-22(20)46-38)10-23(33(56)41-13-30(55)47-31)44-37(60)32(18(3)27(52)15-50)48-35(58)26-9-19(51)14-49(26)39(61)24(11-28(40)53)45-34(25)57/h5-8,17-19,23-27,31-32,46,50-52H,4,9-16H2,1-3H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)
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| InChIKey |
BOHCOUQZNDPURZ-UHFFFAOYSA-N
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| IUPAC Name |
2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide
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| Pharmaceutical Properties | Molecule Weight |
903 |
Polar area |
380 |
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Complexity |
1810 |
xlogp Value |
-4.1 |
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Heavy Count |
63 |
Rot Bonds |
7 |
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Hbond acc |
14 |
Hbond Donor |
12 |
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Each Antibody-drug Conjugate Related to This Payload
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