| PDB CCD ID: | 817 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H11 F3 N4 S |
| InChI: | InChI=1S/C10H11F3N4S/c11-10(12,13)7-3-1-2-6(4-7)5-18-9(16)17-8(14)15/h1-4H,5H2,(H5,14,15,16,17) |
| InChIKey: | DWJNPCRXBNWCJC-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | [H]/N=C(\N)/N/C(=N/[H])/SCc1cccc(c1)C(F)(F)F | | OpenEye OEToolkits 1.5.0 | [H]N=C(N)NC(=N[H])SCc1cccc(c1)C(F)(F)F | | ACDLabs 10.04 | FC(F)(F)c1cccc(c1)CSC(=[N@H])NC(=[N@H])N | | CACTVS 3.341 | NC(=N)NC(=N)SCc1cccc(c1)C(F)(F)F |
|
| Name: | 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE;
3-(TRIFLUOROMETHYL)BENZYL N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE |
| ChEMBL: | CHEMBL387262 |
| DrugBank: | DB07262 |
zhanggroup.org