General Information of the Compound
| Compound ID |
CP0414832
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| Compound Name |
3-[4-cyclopropyl-5-[4-(2-methylpropyl)phenyl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
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| Structure |
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| Formula |
C26H32N4O
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| Molecular Weight |
416.569
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| Canonical SMILES |
CC(C)Cc1ccc(cc1)-c1nnc(CCC(=O)Nc2ccc(C)cc2C)n1C1CC1
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| InChI |
InChI=1S/C26H32N4O/c1-17(2)15-20-6-8-21(9-7-20)26-29-28-24(30(26)22-10-11-22)13-14-25(31)27-23-12-5-18(3)16-19(23)4/h5-9,12,16-17,22H,10-11,13-15H2,1-4H3,(H,27,31)
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| InChIKey |
ZZTUGIVZKAXQBI-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