| PDB CCD ID: | 6RL |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C18 H20 F N5 O2 |
| InChI: | InChI=1S/C18H20FN5O2/c1-22-17(25)8-16(23-6-2-3-15(21)11-23)24(18(22)26)10-13-7-14(19)5-4-12(13)9-20/h4-5,7-8,15H,2-3,6,10-11,21H2,1H3/t15-/m1/s1 |
| InChIKey: | IWYJYHUNXVAVAA-OAHLLOKOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.5 | CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N | | OpenEye OEToolkits 2.0.5 | CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCCC(C3)N | | CACTVS 3.385 | CN1C(=O)C=C(N2CCC[C@@H](N)C2)N(Cc3cc(F)ccc3C#N)C1=O | | CACTVS 3.385 | CN1C(=O)C=C(N2CCC[CH](N)C2)N(Cc3cc(F)ccc3C#N)C1=O |
|
| Name: | 2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile;
SYR-472 |
| ChEMBL: | CHEMBL1650443 |
| DrugBank: | DB15323 |
| ZINC: | ZINC000034505198 |
zhanggroup.org