General Information of the Compound
| Compound ID |
CP0457695
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| Compound Name |
5-chloro-N-(4-(2-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-yl)-6-(piperidin-1-yl)nicotinamide
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| Structure |
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| Formula |
C21H17ClF4N4OS
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| Molecular Weight |
484.906
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| Canonical SMILES |
Fc1c(cccc1C(F)(F)F)-c1csc(NC(=O)c2cnc(N3CCCCC3)c(Cl)c2)n1
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| InChI |
InChI=1S/C21H17ClF4N4OS/c22-15-9-12(10-27-18(15)30-7-2-1-3-8-30)19(31)29-20-28-16(11-32-20)13-5-4-6-14(17(13)23)21(24,25)26/h4-6,9-11H,1-3,7-8H2,(H,28,29,31)
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| InChIKey |
CGHUGQMSLZRHQE-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