General Information of the Compound
| Compound ID |
CP0542045
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| Compound Name |
3-[4-cyclopropyl-5-(4-methylpentyl)-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
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| Structure |
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| Formula |
C22H32N4O
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| Molecular Weight |
368.525
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| Canonical SMILES |
CC(C)CCCc1nnc(CCC(=O)Nc2ccc(C)cc2C)n1C1CC1
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| InChI |
InChI=1S/C22H32N4O/c1-15(2)6-5-7-20-24-25-21(26(20)18-9-10-18)12-13-22(27)23-19-11-8-16(3)14-17(19)4/h8,11,14-15,18H,5-7,9-10,12-13H2,1-4H3,(H,23,27)
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| InChIKey |
MOJJWCCZEAQHHZ-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