General Information of the Compound
| Compound ID |
CP0398612
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| Compound Name |
2-(2-chloro-4-(trifluoromethyl)phenylsulfonyl)-2-methyl-N-(quinolin-3-yl)propanamide
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| Structure |
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| Formula |
C20H16ClF3N2O3S
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| Molecular Weight |
456.873
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| Canonical SMILES |
CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C20H16ClF3N2O3S/c1-19(2,18(27)26-14-9-12-5-3-4-6-16(12)25-11-14)30(28,29)17-8-7-13(10-15(17)21)20(22,23)24/h3-11H,1-2H3,(H,26,27)
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| InChIKey |
CDMGPDPGOOJHDC-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2