General Information of the Compound
| Compound ID |
CP0482636
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| Compound Name |
4-[2-(3-chlorophenyl)-3-(3-fluoro-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]benzene-1,3-diol
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| Structure |
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| Formula |
C21H16ClFN2O3
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| Molecular Weight |
398.821
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| Canonical SMILES |
Oc1ccc(C2=NN(C(C2)c2ccc(O)c(F)c2)c2cccc(Cl)c2)c(O)c1
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| InChI |
InChI=1S/C21H16ClFN2O3/c22-13-2-1-3-14(9-13)25-19(12-4-7-20(27)17(23)8-12)11-18(24-25)16-6-5-15(26)10-21(16)28/h1-10,19,26-28H,11H2
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| InChIKey |
VNOPTNCUEVRKCG-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