General Information of the Compound
| Compound ID |
CP0422392
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| Compound Name |
1-(3-cyano-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 |
C23H17F4N5O3S
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| Molecular Weight |
519.48
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| Canonical SMILES |
OC(=O)C1CCN(CC1)c1ncc(cc1C#N)C(=O)Nc1nc(cs1)-c1cccc(c1F)C(F)(F)F
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| InChI |
InChI=1S/C23H17F4N5O3S/c24-18-15(2-1-3-16(18)23(25,26)27)17-11-36-22(30-17)31-20(33)14-8-13(9-28)19(29-10-14)32-6-4-12(5-7-32)21(34)35/h1-3,8,10-12H,4-7H2,(H,34,35)(H,30,31,33)
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| InChIKey |
ZCSSJYPRRQDAMR-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