General Information of the Compound
| Compound ID |
CP0157342
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| Compound Name |
N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
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| Structure |
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| Formula |
C23H21F3N2O4S
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| Molecular Weight |
478.492
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1ccc(CNC(=O)c2ccc(OCCC(F)(F)F)nc2)cc1
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| InChI |
InChI=1S/C23H21F3N2O4S/c1-33(30,31)20-9-6-18(7-10-20)17-4-2-16(3-5-17)14-28-22(29)19-8-11-21(27-15-19)32-13-12-23(24,25)26/h2-11,15H,12-14H2,1H3,(H,28,29)
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| InChIKey |
JAJQVZPJXGJHGZ-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