General Information of the Compound
| Compound ID |
CP0457697
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| Compound Name |
1-(5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)-3-methylpyridin-2-yl)piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C23H20F4N4O3S
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| Molecular Weight |
508.497
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| Canonical SMILES |
Cc1cc(cnc1N1CCC(CC1)C(O)=O)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
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| InChI |
InChI=1S/C23H20F4N4O3S/c1-12-9-14(10-28-19(12)31-7-5-13(6-8-31)21(33)34)20(32)30-22-29-17(11-35-22)15-3-2-4-16(18(15)24)23(25,26)27/h2-4,9-11,13H,5-8H2,1H3,(H,33,34)(H,29,30,32)
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| InChIKey |
WRIFMIMPQKPCOS-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