General Information of the Compound
| Compound ID |
CP0551795
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| Compound Name |
3-[4-cyclopropyl-5-[5-(2-methylpropyl)-1,2-oxazol-3-yl]-1,2,4-triazol-3-yl]-N-(2,4-dimethylphenyl)propanamide
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| Structure |
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| Formula |
C23H29N5O2
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| Molecular Weight |
407.518
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| Canonical SMILES |
CC(C)Cc1cc(no1)-c1nnc(CCC(=O)Nc2ccc(C)cc2C)n1C1CC1
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| InChI |
InChI=1S/C23H29N5O2/c1-14(2)11-18-13-20(27-30-18)23-26-25-21(28(23)17-6-7-17)9-10-22(29)24-19-8-5-15(3)12-16(19)4/h5,8,12-14,17H,6-7,9-11H2,1-4H3,(H,24,29)
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| InChIKey |
YQFIICDJTARFQZ-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