General Information of the Compound
| Compound ID |
CP0513870
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| Compound Name |
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methoxyphenol
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| Structure |
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| Formula |
C16H13ClN2O2
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| Molecular Weight |
300.745
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| Canonical SMILES |
COc1cc(ccc1O)-c1cc(n[nH]1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C16H13ClN2O2/c1-21-16-8-11(4-7-15(16)20)14-9-13(18-19-14)10-2-5-12(17)6-3-10/h2-9,20H,1H3,(H,18,19)
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| InChIKey |
IQPXDSYBTSURAA-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