| PDB CCD ID: | HFG |
| Number of entries in BioLiP: | 38 |
| Chemical formula: | C16 H17 Br Cl N3 O3 |
| InChI: | InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1 |
| InChIKey: | LVASCWIMLIKXLA-CABCVRRESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)CC3C(CCCN3)O | | OpenEye OEToolkits 1.7.6 | c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O | | CACTVS 3.370 | O[C@H]1CCCN[C@@H]1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O | | CACTVS 3.370 | O[CH]1CCCN[CH]1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O | | ACDLabs 12.01 | Brc3c(Cl)cc1c(N=CN(C1=O)CC(=O)CC2NCCCC2O)c3 |
|
| Name: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one;
Halofuginone |
| ChEMBL: | CHEMBL1199540 |
| DrugBank: | DB04866 |
| ZINC: | ZINC000005784191 |
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