| PDB CCD ID: | LJY |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C18 H14 Cl N3 O2 |
| InChI: | InChI=1S/C18H14ClN3O2/c1-24-17-8-15(4-2-11(17)9-20)21-10-13-6-12-7-14(19)3-5-16(12)22-18(13)23/h2-8,21H,10H2,1H3,(H,22,23) |
| InChIKey: | DHTDEOJRSYUVPD-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | COc1cc(ccc1C#N)NCC2=Cc3cc(ccc3NC2=O)Cl | | CACTVS 3.385 | COc1cc(NCC2=Cc3cc(Cl)ccc3NC2=O)ccc1C#N | | ACDLabs 12.01 | COc3c(ccc(NCC=2C(Nc1ccc(Cl)cc1C=2)=O)c3)C#N |
|
| Name: | 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile |
| ChEMBL: | CHEMBL4440107 |
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