| PDB CCD ID: | Q1G |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H15 Br N2 O4 S |
| InChI: | InChI=1S/C17H15BrN2O4S/c18-12-3-5-15(22)16(9-12)25(23,24)20-13-8-11(2-4-14(13)21)17(10-19)6-1-7-17/h2-5,8-9,20-22H,1,6-7H2 |
| InChIKey: | DMCFTKWJTBOJFX-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Oc1ccc(cc1N[S](=O)(=O)c2cc(Br)ccc2O)C3(CCC3)C#N | | ACDLabs 12.01 | c1(c(ccc(c1)Br)O)S(Nc3cc(C2(CCC2)C#N)ccc3O)(=O)=O | | OpenEye OEToolkits 2.0.7 | c1cc(c(cc1C2(CCC2)C#N)NS(=O)(=O)c3cc(ccc3O)Br)O |
|
| Name: | 5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide |
| ChEMBL: | CHEMBL4470498 |
zhanggroup.org