| PDB CCD ID: | 6Z6 |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C27 H22 N2 O3 |
| InChI: | InChI=1S/C27H22N2O3/c1-31-19-11-9-17(10-12-19)25-22(15-28)27(29)32-24-14-18(13-23(30)26(24)25)21-8-4-6-16-5-2-3-7-20(16)21/h2-12,18,25H,13-14,29H2,1H3/t18-,25?/m1/s1 |
| InChIKey: | YBMGNDPBARCLFT-YDONVPIESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COc1ccc(cc1)[C@@H]2C(=C(N)OC3=C2C(=O)C[C@H](C3)c4cccc5ccccc45)C#N | | CACTVS 3.385 | COc1ccc(cc1)[CH]2C(=C(N)OC3=C2C(=O)C[CH](C3)c4cccc5ccccc45)C#N | | OpenEye OEToolkits 2.0.5 | COc1ccc(cc1)C2C(=C(OC3=C2C(=O)CC(C3)c4cccc5c4cccc5)N)C#N | | OpenEye OEToolkits 2.0.5 | COc1ccc(cc1)C2C(=C(OC3=C2C(=O)C[C@H](C3)c4cccc5c4cccc5)N)C#N |
|
| Name: | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile |
zhanggroup.org