General Information of the Compound
| Compound ID |
CP0950278
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| Compound Name |
1-sec-butyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(6-(4-(12-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yloxy)dodecyl)piperazin-1-yl)pyridin-3-yl)-3-methyl-1H-indole-4-carboxamide
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| Formula |
C56H70N8O7
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| Molecular Weight |
967.225
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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(CCCCCCCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21
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| InChI |
InChI=1S/C56H70N8O7/c1-6-39(5)63-35-37(3)50-43(52(66)58-34-44-36(2)30-38(4)59-53(44)67)31-41(32-46(50)63)40-20-22-48(57-33-40)62-27-25-61(26-28-62)24-15-13-11-9-7-8-10-12-14-16-29-71-47-19-17-18-42-51(47)56(70)64(55(42)69)45-21-23-49(65)60-54(45)68/h17-20,22,30-33,35,39,45H,6-16,21,23-29,34H2,1-5H3,(H,58,66)(H,59,67)(H,60,65,68)/t39-,45?/m0/s1
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| InChIKey |
NEOATSFBFZGTHQ-PWLYXOBOSA-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