| PDB CCD ID: | BFI |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H11 Br F2 N2 O4 |
| InChI: | InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1 |
| InChIKey: | BMHZAHGTGIZZCT-LJQANCHMSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1cc2c(cc1F)[C@@]3(CC(=O)NC3=O)C(=O)N(C2=O)Cc4ccc(cc4F)Br | | CACTVS 3.341 | Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C]4(CC(=O)NC4=O)c2c1 | | ACDLabs 10.04 | Brc1ccc(c(F)c1)CN4C(=O)c2ccc(F)cc2C3(C(=O)NC(=O)C3)C4=O | | CACTVS 3.341 | Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]4(CC(=O)NC4=O)c2c1 | | OpenEye OEToolkits 1.5.0 | c1cc2c(cc1F)C3(CC(=O)NC3=O)C(=O)N(C2=O)Cc4ccc(cc4F)Br |
|
| Name: | 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE;
MINALRESTAT |
| ChEMBL: | CHEMBL292963 |
| DrugBank: | DB07450 |
| ZINC: | ZINC000000597385 |
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