General Information of the Compound
| Compound ID |
CP0539006
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| Compound Name |
5-(4-chlorophenyl)-3-(2,2-dimethyloxan-4-yl)-1-(2-methoxyphenyl)pyrazole
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| Structure |
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| Formula |
C23H25ClN2O2
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| Molecular Weight |
396.918
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| Canonical SMILES |
COc1ccccc1-n1nc(cc1-c1ccc(Cl)cc1)C1CCOC(C)(C)C1
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| InChI |
InChI=1S/C23H25ClN2O2/c1-23(2)15-17(12-13-28-23)19-14-21(16-8-10-18(24)11-9-16)26(25-19)20-6-4-5-7-22(20)27-3/h4-11,14,17H,12-13,15H2,1-3H3
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| InChIKey |
XMKRVNRJAVNDMO-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