| PDB CCD ID: | 623 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H18 F2 N5 O2 |
| InChI: | InChI=1S/C20H17F2N5O2/c1-10-15(21)19(28-13-6-2-4-11(8-13)17(23)24)27-20(16(10)22)29-14-7-3-5-12(9-14)18(25)26/h2-9H,1H3,(H3,23,24)(H3,25,26)/p+1 |
| InChIKey: | ZXIHYCYAQUQHSG-UHFFFAOYSA-O |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | [H]/N=C(/c1cccc(c1)Oc2c(c(c(c([nH+]2)Oc3cccc(c3)/C(=N/[H])/N)F)C)F)\N | | ACDLabs 10.04 | Fc3c(Oc1cc(C(=[N@H])N)ccc1)[nH+]c(Oc2cccc(C(=[N@H])N)c2)c(F)c3C | | CACTVS 3.341 | Cc1c(F)c(Oc2cccc(c2)C(N)=N)[nH+]c(Oc3cccc(c3)C(N)=N)c1F | | OpenEye OEToolkits 1.5.0 | [H]N=C(c1cccc(c1)Oc2c(c(c(c([nH+]2)Oc3cccc(c3)C(=N[H])N)F)C)F)N |
|
| Name: | 3,3'-[3,5-DIFLUORO-4-METHYL-2,6-PYRIDYLENEBIS(OXY)]-BIS(BENZENECARBOXIMIDAMIDE);
ZK-805623 |
| DrugBank: | DB04432 |
umich.edu