General Information of the Compound
| Compound ID |
CP0508195
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| Compound Name |
2-[(4-chlorophenyl)sulfonyl-[[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]amino]acetic acid
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| Structure |
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| Formula |
C21H16ClF3N2O5S
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| Molecular Weight |
500.882
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| Canonical SMILES |
OC(=O)CN(Cc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H16ClF3N2O5S/c22-16-4-8-18(9-5-16)33(30,31)27(13-20(28)29)12-14-1-6-17(7-2-14)32-19-10-3-15(11-26-19)21(23,24)25/h1-11H,12-13H2,(H,28,29)
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| InChIKey |
FXBMUWYJDAEZBE-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