General Information of the Compound
| Compound ID |
CP0561932
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| Compound Name |
N-[[4-(methylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide
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| Structure |
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| Formula |
C19H17F3N2O3S
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| Molecular Weight |
410.417
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| Canonical SMILES |
CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3[nH]ccc3c2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H17F3N2O3S/c1-28(26,27)11-12-2-3-15(16(8-12)19(20,21)22)10-24-18(25)14-4-5-17-13(9-14)6-7-23-17/h2-9,23H,10-11H2,1H3,(H,24,25)
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| InChIKey |
CGJAYXGRULEEQH-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