General Information of the Compound
| Compound ID |
CP0966182
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| Compound Name |
1-sec-butyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(6-(4-(5-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yloxy)pentyl)piperazin-1-yl)pyridin-3-yl)-3-methyl-1H-indole-4-carboxamide
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| Formula |
C49H56N8O7
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| Molecular Weight |
869.036
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| Canonical SMILES |
CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(CCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21
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| InChI |
InChI=1S/C49H56N8O7/c1-6-32(5)56-28-30(3)43-36(45(59)51-27-37-29(2)23-31(4)52-46(37)60)24-34(25-39(43)56)33-13-15-41(50-26-33)55-20-18-54(19-21-55)17-8-7-9-22-64-40-12-10-11-35-44(40)49(63)57(48(35)62)38-14-16-42(58)53-47(38)61/h10-13,15,23-26,28,32,38H,6-9,14,16-22,27H2,1-5H3,(H,51,59)(H,52,60)(H,53,58,61)/t32-,38?/m0/s1
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| InChIKey |
FHFDVRHANUQCAV-MDYKADOQSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound