General Information of the Compound
| Compound ID |
CP0462966
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| Compound Name |
(3-(4-chlorophenyl)-1H-pyrazol-5-yl)(4-(cyclohexylmethyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C21H27ClN4O
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| Molecular Weight |
386.927
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc([nH]n1)C(=O)N1CCN(CC2CCCCC2)CC1
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| InChI |
InChI=1S/C21H27ClN4O/c22-18-8-6-17(7-9-18)19-14-20(24-23-19)21(27)26-12-10-25(11-13-26)15-16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-13,15H2,(H,23,24)
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| InChIKey |
OJIRPCUFUWVWCE-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