PDB CCD ID: | Y03 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C14 H12 Cl2 N O5 P |
InChI: | InChI=1S/C14H12Cl2NO5P/c15-9-5-10(16)7-11(6-9)17-14(18)8-22-12-3-1-2-4-13(12)23(19,20)21/h1-7H,8H2,(H,17,18)(H2,19,20,21) |
InChIKey: | CPVQZZLNMCVTEO-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 12.01 | Clc2cc(NC(=O)COc1ccccc1P(=O)(O)O)cc(Cl)c2 | CACTVS 3.370 | O[P](O)(=O)c1ccccc1OCC(=O)Nc2cc(Cl)cc(Cl)c2 | OpenEye OEToolkits 1.7.6 | c1ccc(c(c1)OCC(=O)Nc2cc(cc(c2)Cl)Cl)P(=O)(O)O |
|
Name: | (2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid |
ZINC: | ZINC000009420372 |