General Information of the Compound
| Compound ID |
CP0375787
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| Compound Name |
3-[4-cyclobutyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
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| Structure |
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| Formula |
C25H36N4O
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| Molecular Weight |
408.59
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| Canonical SMILES |
Cc1ccc(NC(=O)CCc2nnc(CCC3CCCCC3)n2C2CCC2)c(C)c1
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| InChI |
InChI=1S/C25H36N4O/c1-18-11-13-22(19(2)17-18)26-25(30)16-15-24-28-27-23(29(24)21-9-6-10-21)14-12-20-7-4-3-5-8-20/h11,13,17,20-21H,3-10,12,14-16H2,1-2H3,(H,26,30)
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| InChIKey |
MWJNLALSLLUFEE-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