General Information of the Compound
| Compound ID |
CP0671568
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| Compound Name |
4-(1,5-bis(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)benzene-1,2-diol
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| Structure |
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| Formula |
C21H16Cl2N2O2
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| Molecular Weight |
399.277
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| Canonical SMILES |
Oc1ccc(C2=NN(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)C2)cc1O
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| InChI |
InChI=1S/C21H16Cl2N2O2/c22-15-4-1-13(2-5-15)19-12-18(14-3-10-20(26)21(27)11-14)24-25(19)17-8-6-16(23)7-9-17/h1-11,19,26-27H,12H2
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| InChIKey |
MQKSXCWBYQNCLU-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