General Information of the Compound
| Compound ID |
CP0966887
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| Compound Name |
1-sec-butyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(6-(4-(10-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yloxy)decyl)piperazin-1-yl)pyridin-3-yl)-3-methyl-1H-indole-4-carboxamide
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| Formula |
C54H66N8O7
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| Molecular Weight |
939.171
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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(CCCCCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21
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| InChI |
InChI=1S/C54H66N8O7/c1-6-37(5)61-33-35(3)48-41(50(64)56-32-42-34(2)28-36(4)57-51(42)65)29-39(30-44(48)61)38-18-20-46(55-31-38)60-25-23-59(24-26-60)22-13-11-9-7-8-10-12-14-27-69-45-17-15-16-40-49(45)54(68)62(53(40)67)43-19-21-47(63)58-52(43)66/h15-18,20,28-31,33,37,43H,6-14,19,21-27,32H2,1-5H3,(H,56,64)(H,57,65)(H,58,63,66)/t37-,43?/m0/s1
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| InChIKey |
GJKXGKKLZFKOFH-AMNDPQNWSA-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