| PDB CCD ID: | 778 |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C22 H20 Cl N5 O |
| InChI: | InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2 |
| InChIKey: | JNUGFGAVPBYSHF-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1cc(cc(c1)Cl)N2CCN(CC2=O)Cc3cncn3Cc4ccc(cc4)C#N | | OpenEye OEToolkits 1.5.0 | c1cc(cc(c1)Cl)N2CC[N@@](CC2=O)Cc3cncn3Cc4ccc(cc4)C#N | | CACTVS 3.341 | Clc1cccc(c1)N2CCN(CC2=O)Cc3cncn3Cc4ccc(cc4)C#N | | ACDLabs 10.04 | N#Cc1ccc(cc1)Cn2c(cnc2)CN4CC(=O)N(c3cccc(Cl)c3)CC4 |
|
| Name: | 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE;
L-778,123 |
| ChEMBL: | CHEMBL279433 |
| DrugBank: | DB07227 |
| ZINC: | ZINC000053070632 |
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