General Information of the Compound
| Compound ID |
CP0381794
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| Compound Name |
3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-(3,5-dimethylphenyl)propanamide
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| Structure |
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| Formula |
C23H34N4O
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| Molecular Weight |
382.552
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| Canonical SMILES |
CCn1c(CCC2CCCCC2)nnc1CCC(=O)Nc1cc(C)cc(C)c1
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| InChI |
InChI=1S/C23H34N4O/c1-4-27-21(11-10-19-8-6-5-7-9-19)25-26-22(27)12-13-23(28)24-20-15-17(2)14-18(3)16-20/h14-16,19H,4-13H2,1-3H3,(H,24,28)
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| InChIKey |
FHHJPIKZKMBVNW-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
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT05439, Nuclear receptor ROR-gamma