General Information of the Compound
| Compound ID |
CP0970572
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| Compound Name |
1-sec-butyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(6-(4-(9-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yloxy)nonyl)piperazin-1-yl)pyridin-3-yl)-3-methyl-1H-indole-4-carboxamide
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| Formula |
C53H64N8O7
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| Molecular Weight |
925.144
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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(CCCCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21
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| InChI |
InChI=1S/C53H64N8O7/c1-6-36(5)60-32-34(3)47-40(49(63)55-31-41-33(2)27-35(4)56-50(41)64)28-38(29-43(47)60)37-17-19-45(54-30-37)59-24-22-58(23-25-59)21-12-10-8-7-9-11-13-26-68-44-16-14-15-39-48(44)53(67)61(52(39)66)42-18-20-46(62)57-51(42)65/h14-17,19,27-30,32,36,42H,6-13,18,20-26,31H2,1-5H3,(H,55,63)(H,56,64)(H,57,62,65)/t36-,42?/m0/s1
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| InChIKey |
CPVGAEUHQZBYRI-VKPZIYMTSA-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