General Information of the Compound
| Compound ID |
CP0556309
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| Compound Name |
N-benzyl-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(hydroxymethyl)benzenesulfonamide
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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 |
OCc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ncc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C20H16ClF3N2O3S/c21-18-10-16(20(22,23)24)11-25-19(18)26(12-14-4-2-1-3-5-14)30(28,29)17-8-6-15(13-27)7-9-17/h1-11,27H,12-13H2
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| InChIKey |
DVLWBPIAHOWKEP-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