PDB CCD ID: | R01 |
Number of entries in BioLiP: | 3 |
Chemical formula: | C24 H22 Br N O |
InChI: | InChI=1S/C24H22BrNO/c1-3-16-26(2)17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(27)22-12-14-23(25)15-13-22/h3-15H,1,16-17H2,2H3 |
InChIKey: | YATCZCSDJCQNAL-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | CN(CC=C)Cc1ccc(cc1)c2ccc(cc2)C(=O)c3ccc(cc3)Br | CACTVS 3.341 | CN(CC=C)Cc1ccc(cc1)c2ccc(cc2)C(=O)c3ccc(Br)cc3 | OpenEye OEToolkits 1.5.0 | C[N@@](CC=C)Cc1ccc(cc1)c2ccc(cc2)C(=O)c3ccc(cc3)Br | ACDLabs 10.04 | O=C(c1ccc(Br)cc1)c3ccc(c2ccc(cc2)CN(C\C=C)C)cc3 |
|
Name: | (4'-{[ALLYL(METHYL)AMINO]METHYL}-1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE |
ChEMBL: | CHEMBL65230 |
DrugBank: | DB03234 |