PDB CCD ID: | 4BM |
Number of entries in BioLiP: | 7 |
Chemical formula: | C16 H14 F3 I N2 O4 |
InChI: | InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1 |
InChIKey: | SUDAHWBOROXANE-SECBINFHSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O | ACDLabs 10.04 | O=C(NOCC(O)CO)c1c(c(F)c(F)cc1)Nc2ccc(I)cc2F | OpenEye OEToolkits 1.5.0 | c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOCC(CO)O | CACTVS 3.341 | OC[CH](O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F | CACTVS 3.341 | OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F |
|
Name: | N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide |
ChEMBL: | CHEMBL507361 |
DrugBank: | DB07101 |
ZINC: | ZINC000003938683 |