PDB CCD ID: | JPU |
Number of entries in BioLiP: | 4 |
Chemical formula: | C22 H26 N2 O4 |
InChI: | InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3 |
InChIKey: | RUJBDQSFYCKFAA-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 2.0.7 | CCC1c2cc(c(cc2C(=NN=C1C)c3ccc(c(c3)OC)OC)OC)OC | OpenEye OEToolkits 2.0.7 | CC[C@@H]1c2cc(c(cc2C(=NN=C1C)c3ccc(c(c3)OC)OC)OC)OC | CACTVS 3.385 | CC[CH]1C(=NN=C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13)C | CACTVS 3.385 | CC[C@H]1C(=NN=C(c2ccc(OC)c(OC)c2)c3cc(OC)c(OC)cc13)C | ACDLabs 12.01 | COc1ccc(cc1OC)C1=NN=C(C)C(CC)c2cc(OC)c(cc21)OC |
|
Name: | (5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine |
ChEMBL: | CHEMBL404216 |
DrugBank: | DB08811 |