General Information of the Compound
| Compound ID |
CP0416468
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| Compound Name |
1-(3-chloro-5-(5-ethyl-4-(4-fluoro-3-(trifluoromethyl)phenyl)thiazol-2-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C24H21ClF4N4O3S
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| Molecular Weight |
556.969
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| Canonical SMILES |
CCc1sc(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/C24H21ClF4N4O3S/c1-2-18-19(13-3-4-17(26)15(9-13)24(27,28)29)31-23(37-18)32-21(34)14-10-16(25)20(30-11-14)33-7-5-12(6-8-33)22(35)36/h3-4,9-12H,2,5-8H2,1H3,(H,35,36)(H,31,32,34)
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| InChIKey |
NLJGONGPOFDMMI-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