General Information of the Compound
| Compound ID |
CP0438706
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| Compound Name |
1-(3-chloro-5-(4-(4-fluoro-3-(trifluoromethyl)phenyl)-5-methylthiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C23H19ClF4N4O3S
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| Molecular Weight |
542.942
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| Canonical SMILES |
Cc1sc(NC(=O)c2cnc(N3CCC(CC3)C(O)=O)c(Cl)c2)nc1-c1ccc(F)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H19ClF4N4O3S/c1-11-18(13-2-3-17(25)15(8-13)23(26,27)28)30-22(36-11)31-20(33)14-9-16(24)19(29-10-14)32-6-4-12(5-7-32)21(34)35/h2-3,8-10,12H,4-7H2,1H3,(H,34,35)(H,30,31,33)
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| InChIKey |
HRAUTHVDGDEUDU-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