General Information of the Compound
| Compound ID |
CP0230347
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| Compound Name |
4-[[5-(cyclohexylcarbamoylamino)-1-methylindol-3-yl]methyl]-N-(3,5-dichlorophenyl)sulfonyl-3-methoxybenzamide
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| Structure |
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| Formula |
C31H32Cl2N4O5S
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| Molecular Weight |
643.593
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| Canonical SMILES |
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C31H32Cl2N4O5S/c1-37-18-21(27-17-25(10-11-28(27)37)35-31(39)34-24-6-4-3-5-7-24)12-19-8-9-20(13-29(19)42-2)30(38)36-43(40,41)26-15-22(32)14-23(33)16-26/h8-11,13-18,24H,3-7,12H2,1-2H3,(H,36,38)(H2,34,35,39)
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| InChIKey |
UAZVAVXMYLMNGU-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