General Information of the Compound
| Compound ID |
CP0954202
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| Compound Name |
1-sec-butyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(6-(4-(7-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yloxy)heptyl)piperazin-1-yl)pyridin-3-yl)-3-methyl-1H-indole-4-carboxamide
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| Formula |
C51H60N8O7
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| Molecular Weight |
897.09
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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(CCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21
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| InChI |
InChI=1S/C51H60N8O7/c1-6-34(5)58-30-32(3)45-38(47(61)53-29-39-31(2)25-33(4)54-48(39)62)26-36(27-41(45)58)35-15-17-43(52-28-35)57-22-20-56(21-23-57)19-10-8-7-9-11-24-66-42-14-12-13-37-46(42)51(65)59(50(37)64)40-16-18-44(60)55-49(40)63/h12-15,17,25-28,30,34,40H,6-11,16,18-24,29H2,1-5H3,(H,53,61)(H,54,62)(H,55,60,63)/t34-,40?/m0/s1
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| InChIKey |
BWKHWYVWHZQWKQ-ROLZWKQRSA-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