General Information of the Compound
| Compound ID |
CP0537152
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| Compound Name |
1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
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| Structure |
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| Formula |
C18H22F3N3O2
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| Molecular Weight |
369.387
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| Canonical SMILES |
CC1=NN(C(C1)c1ccccc1O)C(=O)CN1CCC(CC1)C(F)(F)F
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| InChI |
InChI=1S/C18H22F3N3O2/c1-12-10-15(14-4-2-3-5-16(14)25)24(22-12)17(26)11-23-8-6-13(7-9-23)18(19,20)21/h2-5,13,15,25H,6-11H2,1H3
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| InChIKey |
LHNLQHNBYRWMFE-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