General Information of the Compound
| Compound ID |
CP0534066
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| Compound Name |
1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
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| Structure |
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| Formula |
C25H20F4N2O2
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| Molecular Weight |
456.439
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| Canonical SMILES |
COc1ccc(CNC(=O)c2ccc3n(Cc4cccc(F)c4)ccc3c2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H20F4N2O2/c1-33-21-7-5-19(22(13-21)25(27,28)29)14-30-24(32)18-6-8-23-17(12-18)9-10-31(23)15-16-3-2-4-20(26)11-16/h2-13H,14-15H2,1H3,(H,30,32)
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| InChIKey |
IOIAUTHANNJTPY-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