General Information of the Compound
| Compound ID |
CP0248701
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| Compound Name |
4-[[5-(cyclohexylcarbamoylamino)-1-methylindol-3-yl]methyl]-3-methoxy-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
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| Structure |
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| Formula |
C32H33F3N4O5S
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| Molecular Weight |
642.7
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| Canonical SMILES |
COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)NC3CCCCC3)cc12)C(=O)NS(=O)(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C32H33F3N4O5S/c1-39-19-22(27-18-25(13-14-28(27)39)37-31(41)36-24-8-4-3-5-9-24)15-20-11-12-21(16-29(20)44-2)30(40)38-45(42,43)26-10-6-7-23(17-26)32(33,34)35/h6-7,10-14,16-19,24H,3-5,8-9,15H2,1-2H3,(H,38,40)(H2,36,37,41)
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| InChIKey |
BCMLBMIEKQMGLP-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