General Information of the Compound
| Compound ID |
CP0970065
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| Compound Name |
1-sec-butyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(6-(4-(11-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yloxy)undecyl)piperazin-1-yl)pyridin-3-yl)-3-methyl-1H-indole-4-carboxamide
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| Formula |
C55H68N8O7
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| Molecular Weight |
953.198
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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(CCCCCCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21
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| InChI |
InChI=1S/C55H68N8O7/c1-6-38(5)62-34-36(3)49-42(51(65)57-33-43-35(2)29-37(4)58-52(43)66)30-40(31-45(49)62)39-19-21-47(56-32-39)61-26-24-60(25-27-61)23-14-12-10-8-7-9-11-13-15-28-70-46-18-16-17-41-50(46)55(69)63(54(41)68)44-20-22-48(64)59-53(44)67/h16-19,21,29-32,34,38,44H,6-15,20,22-28,33H2,1-5H3,(H,57,65)(H,58,66)(H,59,64,67)/t38-,44?/m0/s1
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| InChIKey |
WFINBOKPKYVHJN-VBIMAARKSA-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