General Information of the Compound
| Compound ID |
CP0054278
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| Compound Name |
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(cyclopropylmethyl)acetamide
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| Structure |
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| Formula |
C14H16ClF3N2O3S
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| Molecular Weight |
384.807
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| Canonical SMILES |
CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(ccc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C14H16ClF3N2O3S/c1-24(22,23)20(8-13(21)19-7-9-2-3-9)12-6-10(14(16,17)18)4-5-11(12)15/h4-6,9H,2-3,7-8H2,1H3,(H,19,21)
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| InChIKey |
SWDFZDHXQCXDGL-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: PT01247, Metabotropic glutamate receptor 5
Protein ID: PT00854, Metabotropic glutamate receptor 5