General Information of the Compound
| Compound ID |
CP0565761
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| Compound Name |
1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C19H20N2O2
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| Molecular Weight |
308.381
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| Canonical SMILES |
CC1=NN(C(C1)c1ccccc1O)C(=O)CCc1ccccc1
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| InChI |
InChI=1S/C19H20N2O2/c1-14-13-17(16-9-5-6-10-18(16)22)21(20-14)19(23)12-11-15-7-3-2-4-8-15/h2-10,17,22H,11-13H2,1H3
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| InChIKey |
BXHCTKZTCQMHEO-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