General Information of the Compound
| Compound ID |
CP0355825
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| Compound Name |
N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]-2-methylindole-5-carboxamide
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| Structure |
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| Formula |
C29H26F4N2O3S
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| Molecular Weight |
558.597
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| Canonical SMILES |
Cc1cc2cc(ccc2n1Cc1cccc(F)c1)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
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| InChI |
InChI=1S/C29H26F4N2O3S/c1-18-11-23-14-21(7-10-27(23)35(18)16-19-3-2-4-24(30)12-19)28(36)34-15-22-6-5-20(13-26(22)29(31,32)33)17-39(37,38)25-8-9-25/h2-7,10-14,25H,8-9,15-17H2,1H3,(H,34,36)
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| InChIKey |
KFKAORAIOHHVSN-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