General Information of the Compound
| Compound ID |
CP0514556
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| Compound Name |
1-(5-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
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| Structure |
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| Formula |
C17H13Cl3N2O
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| Molecular Weight |
367.663
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| Canonical SMILES |
CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C17H13Cl3N2O/c1-10(23)22-17(11-2-5-13(18)6-3-11)9-16(21-22)12-4-7-14(19)15(20)8-12/h2-8,17H,9H2,1H3
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| InChIKey |
YYMAYABEGTVMRS-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