General Information of the Compound
| Compound ID |
CP0538595
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| Compound Name |
1-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C22H31N3O3
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| Molecular Weight |
385.508
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| Canonical SMILES |
COc1ccc(cc1OC)C1(CCCCC1)C(=O)NCCCn1cncc1C
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| InChI |
InChI=1S/C22H31N3O3/c1-17-15-23-16-25(17)13-7-12-24-21(26)22(10-5-4-6-11-22)18-8-9-19(27-2)20(14-18)28-3/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,24,26)
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| InChIKey |
GVWGRGAXTFLLGH-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