General Information of the Compound
| Compound ID |
CP0969524
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| Compound Name |
1-sec-butyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(6-(4-(4-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yloxy)butyl)piperazin-1-yl)pyridin-3-yl)-3-methyl-1H-indole-4-carboxamide
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| Formula |
C48H54N8O7
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| Molecular Weight |
855.009
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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(CCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21
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| InChI |
InChI=1S/C48H54N8O7/c1-6-31(5)55-27-29(3)42-35(44(58)50-26-36-28(2)22-30(4)51-45(36)59)23-33(24-38(42)55)32-12-14-40(49-25-32)54-19-17-53(18-20-54)16-7-8-21-63-39-11-9-10-34-43(39)48(62)56(47(34)61)37-13-15-41(57)52-46(37)60/h9-12,14,22-25,27,31,37H,6-8,13,15-21,26H2,1-5H3,(H,50,58)(H,51,59)(H,52,57,60)/t31-,37?/m0/s1
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| InChIKey |
DHRDWOOGPTZPGD-RKBNTCOGSA-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