General Information of the Compound
| Compound ID |
CP0350317
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| Compound Name |
5-methyl-2-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
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| Structure |
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| Formula |
C16H12F3N3O
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| Molecular Weight |
319.286
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| Canonical SMILES |
Cc1[nH]n(-c2ccccn2)c(=O)c1-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C16H12F3N3O/c1-10-14(11-5-7-12(8-6-11)16(17,18)19)15(23)22(21-10)13-4-2-3-9-20-13/h2-9,21H,1H3
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| InChIKey |
ITXYULUIICDFGR-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