General Information of the Compound
| Compound ID |
CP0360184
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| Compound Name |
2-[[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
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| Structure |
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| Formula |
C25H24N4OS
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| Molecular Weight |
428.561
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| Canonical SMILES |
CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1
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| InChI |
InChI=1S/C25H24N4OS/c1-2-29-24(20-14-18-9-3-4-10-19(18)15-20)27-28-25(29)31-16-23(30)26-22-13-7-11-17-8-5-6-12-21(17)22/h3-13,20H,2,14-16H2,1H3,(H,26,30)
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| InChIKey |
FZEMCLIWPIMPQX-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