General Information of the Compound
| Compound ID |
CP0231165
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| Compound Name |
N-(benzenesulfonyl)-4-[[5-(cyclohexylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxybenzamide
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| Structure |
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| Formula |
C31H34N4O5S
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| Molecular Weight |
574.703
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| Canonical SMILES |
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C31H34N4O5S/c1-35-20-23(27-19-25(15-16-28(27)35)33-31(37)32-24-9-5-3-6-10-24)17-21-13-14-22(18-29(21)40-2)30(36)34-41(38,39)26-11-7-4-8-12-26/h4,7-8,11-16,18-20,24H,3,5-6,9-10,17H2,1-2H3,(H,34,36)(H2,32,33,37)
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| InChIKey |
DSUJZPQYEUITAA-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