General Information of the Compound
| Compound ID |
CP0493536
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| Compound Name |
1-(3-(3,4-Dichlorophenyl)-5-phenyl-4,5-dihydro-1Hpyrazol-1-yl)ethanone
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| Structure |
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| Formula |
C17H14Cl2N2O
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| Molecular Weight |
333.218
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| Canonical SMILES |
CC(=O)N1N=C(CC1c1ccccc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C17H14Cl2N2O/c1-11(22)21-17(12-5-3-2-4-6-12)10-16(20-21)13-7-8-14(18)15(19)9-13/h2-9,17H,10H2,1H3
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| InChIKey |
WFTQBZVNGVFVSA-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