General Information of the Compound
| Compound ID |
CP0944313
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| Compound Name |
4-(5-(3-Chlorophenyl)-1-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)phenol
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| Structure |
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| Formula |
C21H16Cl2N2O
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| Molecular Weight |
383.278
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| Canonical SMILES |
Oc1ccc(C2=NN(c3ccc(Cl)cc3)C(c3cccc(Cl)c3)C2)cc1
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| InChI |
InChI=1S/C21H16Cl2N2O/c22-16-6-8-18(9-7-16)25-21(15-2-1-3-17(23)12-15)13-20(24-25)14-4-10-19(26)11-5-14/h1-12,21,26H,13H2
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| InChIKey |
VTPGYBNMLSMRMN-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