VUF
Summary
| Name: | 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl]piperazin-1-yl]ethanone |
| Formula: | C28 H35 Cl N6 O |
| Formal charge: | 0 |
| Formula weight: | 507.07 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[4-[4-(2-azanylethylamino)-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl]piperazin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C28H35ClN6O/c1-20(36)34-15-17-35(18-16-34)23-9-10-24-25(19-23)32-27(33-26(24)31-14-13-30)28(11-3-2-4-12-28)21-5-7-22(29)8-6-21/h5-10,19H,2-4,11-18,30H2,1H3,(H,31,32,33) |
| InChIKey | InChI | 1.06 | GGEKTDCCHNVLNE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4(CCCCC4)c5ccc(Cl)cc5 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCN(CC1)c2ccc3c(NCCN)nc(nc3c2)C4(CCCCC4)c5ccc(Cl)cc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)c2ccc3c(c2)nc(nc3NCCN)C4(CCCCC4)c5ccc(cc5)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCN(CC1)c2ccc3c(c2)nc(nc3NCCN)C4(CCCCC4)c5ccc(cc5)Cl |
