General Information of the Compound
| Compound ID |
CP0464712
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| Compound Name |
(3-cyclohexyl-1H-pyrazol-5-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C21H28N4O2
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| Molecular Weight |
368.481
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)c1cc(n[nH]1)C1CCCCC1
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| InChI |
InChI=1S/C21H28N4O2/c1-27-20-10-6-5-9-19(20)24-11-13-25(14-12-24)21(26)18-15-17(22-23-18)16-7-3-2-4-8-16/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H,22,23)
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| InChIKey |
PMLBATLYVMNVGV-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