General Information of the Compound
| Compound ID |
CP0116556
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| Compound Name |
4-[[5-(cyclohexylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxy-N-(2-methylphenyl)sulfonylbenzamide
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| Structure |
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| Formula |
C32H36N4O5S
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| Molecular Weight |
588.73
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| Canonical SMILES |
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
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| InChI |
InChI=1S/C32H36N4O5S/c1-21-9-7-8-12-30(21)42(39,40)35-31(37)23-14-13-22(29(18-23)41-3)17-24-20-36(2)28-16-15-26(19-27(24)28)34-32(38)33-25-10-5-4-6-11-25/h7-9,12-16,18-20,25H,4-6,10-11,17H2,1-3H3,(H,35,37)(H2,33,34,38)
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| InChIKey |
OVHFPPKAUNIZRJ-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