General Information of the Compound
| Compound ID |
CP0497723
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| Compound Name |
1-(5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)-3-(trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C23H17F7N4O3S
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| Molecular Weight |
562.467
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| Canonical SMILES |
OC(=O)C1CCN(CC1)c1ncc(cc1C(F)(F)F)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
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| InChI |
InChI=1S/C23H17F7N4O3S/c24-17-13(2-1-3-14(17)22(25,26)27)16-10-38-21(32-16)33-19(35)12-8-15(23(28,29)30)18(31-9-12)34-6-4-11(5-7-34)20(36)37/h1-3,8-11H,4-7H2,(H,36,37)(H,32,33,35)
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| InChIKey |
CZANBKKYKYQEBP-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