| PDB CCD ID: | IQB |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C20 H20 Br N3 O2 S |
| InChI: | InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ |
| InChIKey: | ZKZXNDJNWUTGDK-NSCUHMNNSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1cc2cnccc2c(c1)S(=O)(=O)NCCNCC=Cc3ccc(cc3)Br | | CACTVS 3.341 | Brc1ccc(C=CCNCCN[S](=O)(=O)c2cccc3cnccc23)cc1 | | CACTVS 3.341 | Brc1ccc(/C=C/CNCCN[S](=O)(=O)c2cccc3cnccc23)cc1 | | ACDLabs 10.04 | Brc1ccc(cc1)\C=C\CNCCNS(=O)(=O)c2cccc3c2ccnc3 | | OpenEye OEToolkits 1.5.0 | c1cc2cnccc2c(c1)S(=O)(=O)NCCNC\C=C\c3ccc(cc3)Br |
|
| Name: | N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE;
H-89 |
| ChEMBL: | CHEMBL104264 |
| DrugBank: | DB07995 |
| ZINC: | ZINC000002043204 |
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