General Information of the Compound
| Compound ID |
CP0414184
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| Compound Name |
2-[(4-chlorophenyl)sulfonyl-[(4-phenoxyphenyl)methyl]amino]acetic acid
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| Structure |
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| Formula |
C21H18ClNO5S
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| Molecular Weight |
431.897
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| Canonical SMILES |
OC(=O)CN(Cc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H18ClNO5S/c22-17-8-12-20(13-9-17)29(26,27)23(15-21(24)25)14-16-6-10-19(11-7-16)28-18-4-2-1-3-5-18/h1-13H,14-15H2,(H,24,25)
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| InChIKey |
FERIJTRJGCWIRJ-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