General Information of the Compound
| Compound ID |
CP0388287
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| Compound Name |
1-(3-(3,4-Dimethylphenyl)-5-phenyl-4,5-dihydro-1Hpyrazol-1-yl)ethanone
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| Structure |
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| Formula |
C19H20N2O
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| Molecular Weight |
292.382
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| Canonical SMILES |
CC(=O)N1N=C(CC1c1ccccc1)c1ccc(C)c(C)c1
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| InChI |
InChI=1S/C19H20N2O/c1-13-9-10-17(11-14(13)2)18-12-19(21(20-18)15(3)22)16-7-5-4-6-8-16/h4-11,19H,12H2,1-3H3
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| InChIKey |
GKFNUTZJSAHPAE-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