| PDB CCD ID: | UQD |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H16 Cl N5 O |
| InChI: | InChI=1S/C18H16ClN5O/c1-10-2-4-11(5-3-10)15-16(25)18(23-9-22-15)24-14-7-6-12(17(20)21)8-13(14)19/h2-9,25H,1H3,(H3,20,21)(H,22,23,24) |
| InChIKey: | SNGWZJUYWHIFIM-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1ccc(cc1)c2ncnc(Nc3ccc(cc3Cl)C(N)=N)c2O | | ACDLabs 12.01 | n2cnc(c1ccc(C)cc1)c(O)c2Nc3ccc(/C(N)=N)cc3Cl | | OpenEye OEToolkits 2.0.7 | [H]/N=C(\c1ccc(c(c1)Cl)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N | | OpenEye OEToolkits 2.0.7 | Cc1ccc(cc1)c2c(c(ncn2)Nc3ccc(cc3Cl)C(=N)N)O |
|
| Name: | 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide |
| ChEMBL: | CHEMBL4643810 |
zhanggroup.org