General Information of the Compound
| Compound ID |
CP0532889
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| Compound Name |
1-[5-hydroxy-3-(3-methylphenyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenylethanone
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| Structure |
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| Formula |
C19H17F3N2O2
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| Molecular Weight |
362.351
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| Canonical SMILES |
Cc1cccc(c1)C1=NN(C(=O)Cc2ccccc2)C(O)(C1)C(F)(F)F
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| InChI |
InChI=1S/C19H17F3N2O2/c1-13-6-5-9-15(10-13)16-12-18(26,19(20,21)22)24(23-16)17(25)11-14-7-3-2-4-8-14/h2-10,26H,11-12H2,1H3
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| InChIKey |
MRJOVZJZXDYQFT-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