General Information of the Compound
| Compound ID |
CP0534499
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| Compound Name |
N-(4-chloro-3-pyrimidin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C18H12ClF3N4O
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| Molecular Weight |
392.768
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| Canonical SMILES |
Cc1nc(ccc1C(=O)Nc1ccc(Cl)c(c1)-c1ncccn1)C(F)(F)F
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| InChI |
InChI=1S/C18H12ClF3N4O/c1-10-12(4-6-15(25-10)18(20,21)22)17(27)26-11-3-5-14(19)13(9-11)16-23-7-2-8-24-16/h2-9H,1H3,(H,26,27)
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| InChIKey |
OADVPFIIBHJMPO-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