General Information of the Compound
| Compound ID |
CP0416500
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| Compound Name |
1-(3-chloro-5-(1-(2-fluoro-3-(trifluoromethyl)phenyl)-1H-pyrazol-3-ylcarbamoyl)pyridin-2-yl)piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C22H18ClF4N5O3
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| Molecular Weight |
511.863
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| Canonical SMILES |
OC(=O)C1CCN(CC1)c1ncc(cc1Cl)C(=O)Nc1ccn(n1)-c1cccc(c1F)C(F)(F)F
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| InChI |
InChI=1S/C22H18ClF4N5O3/c23-15-10-13(11-28-19(15)31-7-4-12(5-8-31)21(34)35)20(33)29-17-6-9-32(30-17)16-3-1-2-14(18(16)24)22(25,26)27/h1-3,6,9-12H,4-5,7-8H2,(H,34,35)(H,29,30,33)
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| InChIKey |
HCIHBTOBAAKNSX-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