General Information of the Compound
| Compound ID |
CP0381787
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| Compound Name |
N-(3-chloro-2-methylphenyl)-3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]propanamide
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| Structure |
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| Formula |
C22H31ClN4O
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| Molecular Weight |
402.97
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| Canonical SMILES |
CCn1c(CCC2CCCCC2)nnc1CCC(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C22H31ClN4O/c1-3-27-20(13-12-17-8-5-4-6-9-17)25-26-21(27)14-15-22(28)24-19-11-7-10-18(23)16(19)2/h7,10-11,17H,3-6,8-9,12-15H2,1-2H3,(H,24,28)
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| InChIKey |
WSGYCZCOEBMEQX-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