General Information of the Compound
| Compound ID |
CP0954224
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| Compound Name |
1-sec-butyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(6-(4-(8-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yloxy)octyl)piperazin-1-yl)pyridin-3-yl)-3-methyl-1H-indole-4-carboxamide
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| Formula |
C52H62N8O7
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| Molecular Weight |
911.117
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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(CCCCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21
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| InChI |
InChI=1S/C52H62N8O7/c1-6-35(5)59-31-33(3)46-39(48(62)54-30-40-32(2)26-34(4)55-49(40)63)27-37(28-42(46)59)36-16-18-44(53-29-36)58-23-21-57(22-24-58)20-11-9-7-8-10-12-25-67-43-15-13-14-38-47(43)52(66)60(51(38)65)41-17-19-45(61)56-50(41)64/h13-16,18,26-29,31,35,41H,6-12,17,19-25,30H2,1-5H3,(H,54,62)(H,55,63)(H,56,61,64)/t35-,41?/m0/s1
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| InChIKey |
RXVHCYAIJPRTCM-GXPRHQJDSA-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