General Information of the Compound
| Compound ID |
CP0943148
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| Compound Name |
2-(1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-N-(1,1,3,3-tetramethylisoindolin-2-yloxyl-5-yl)acetamide
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| Structure |
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| Formula |
C31H31ClN3O4
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| Molecular Weight |
545.059
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| Canonical SMILES |
COc1ccc2c(c1)c(CC(=O)Nc1ccc3c(c1)C(C)(C)N([O])C3(C)C)c(C)n2C(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C31H31ClN3O4/c1-18-23(17-28(36)33-21-11-13-25-26(15-21)31(4,5)35(38)30(25,2)3)24-16-22(39-6)12-14-27(24)34(18)29(37)19-7-9-20(32)10-8-19/h7-16H,17H2,1-6H3,(H,33,36)
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| InChIKey |
LYSIWBGBEMCABO-UHFFFAOYSA-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