General Information of the Compound
| Compound ID |
CP0561097
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| Compound Name |
3-(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)-N-naphthalen-1-ylpropanamide
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| Structure |
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| Formula |
C23H28N4O
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| Molecular Weight |
376.504
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| Canonical SMILES |
CCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1C1CCCCC1
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| InChI |
InChI=1S/C23H28N4O/c1-2-27-21(25-26-23(27)18-10-4-3-5-11-18)15-16-22(28)24-20-14-8-12-17-9-6-7-13-19(17)20/h6-9,12-14,18H,2-5,10-11,15-16H2,1H3,(H,24,28)
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| InChIKey |
RWFNZWUOJSDHGW-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