General Information of the Compound
| Compound ID |
CP0479178
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| Compound Name |
5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]-1H-indole-3-carboxamide
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| Structure |
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| Formula |
C17H15ClN2O2
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| Molecular Weight |
314.772
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| Canonical SMILES |
OCc1ccc(CNC(=O)c2c[nH]c3ccc(Cl)cc23)cc1
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| InChI |
InChI=1S/C17H15ClN2O2/c18-13-5-6-16-14(7-13)15(9-19-16)17(22)20-8-11-1-3-12(10-21)4-2-11/h1-7,9,19,21H,8,10H2,(H,20,22)
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| InChIKey |
TVWGXVODHUOYHI-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