General Information of the Compound
| Compound ID |
CP0414831
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| Compound Name |
3-[4-cyclopropyl-5-(4,4-dimethylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-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 |
Cc1ccc(NC(=O)CCc2nnc(CCCC(C)(C)C)n2C2CC2)c(C)c1
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| InChI |
InChI=1S/C23H34N4O/c1-16-8-11-19(17(2)15-16)24-22(28)13-12-21-26-25-20(27(21)18-9-10-18)7-6-14-23(3,4)5/h8,11,15,18H,6-7,9-10,12-14H2,1-5H3,(H,24,28)
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| InChIKey |
NEOYDWPIRVPYKY-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