General Information of the Compound
| Compound ID |
CP0551794
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| Compound Name |
3-[5-(2-cyclohexylethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
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| Structure |
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| Formula |
C24H34N4O
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| Molecular Weight |
394.563
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| Canonical SMILES |
Cc1ccc(NC(=O)CCc2nnc(CCC3CCCCC3)n2C2CC2)c(C)c1
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| InChI |
InChI=1S/C24H34N4O/c1-17-8-12-21(18(2)16-17)25-24(29)15-14-23-27-26-22(28(23)20-10-11-20)13-9-19-6-4-3-5-7-19/h8,12,16,19-20H,3-7,9-11,13-15H2,1-2H3,(H,25,29)
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| InChIKey |
TZXJSLWEEWUXGL-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: PT05439, Nuclear receptor ROR-gamma
Protein ID: PT02663, Nuclear receptor ROR-gamma