PDB CCD ID: | LGB | ||||||||||||
Number of entries in BioLiP: | 1 | ||||||||||||
Chemical formula: | C15 H13 Cl F3 N3 O2 | ||||||||||||
InChI: | InChI=1S/C15H13ClF3N3O2/c1-7-9(3-2-8(6-20)11(7)16)21-14-22-5-4-10(23)12(22)13(24-14)15(17,18)19/h2-3,10,12-13,23H,4-5H2,1H3/b21-14-/t10-,12-,13+/m0/s1 | ||||||||||||
InChIKey: | KALFKWQLCWAXJO-RNSKTZJQSA-N | ||||||||||||
SMILES: |
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Name: | 2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-met hylbenzonitrile; 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM | ||||||||||||
ChEMBL: | CHEMBL484726 | ||||||||||||
DrugBank: | DB08088 | ||||||||||||
ZINC: | ZINC000013982536 |

Reference: