General Information of the Compound
| Compound ID |
CP0554988
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| Compound Name |
1-(5-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C22H18F4N4O3S
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| Molecular Weight |
494.47
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| Canonical SMILES |
OC(=O)C1CCN(CC1)c1ccc(cn1)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
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| InChI |
InChI=1S/C22H18F4N4O3S/c23-18-14(2-1-3-15(18)22(24,25)26)16-11-34-21(28-16)29-19(31)13-4-5-17(27-10-13)30-8-6-12(7-9-30)20(32)33/h1-5,10-12H,6-9H2,(H,32,33)(H,28,29,31)
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| InChIKey |
MKSDWTDTNLUZFE-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