| PDB CCD ID: | UI3 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C16 H16 N4 O3 S |
| InChI: | InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18) |
| InChIKey: | KQUXAFOLFXHVQN-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | COc1ccc2ccc(cc2c1c3cnn(c3)[S](C)(=O)=O)C(N)=N | | ACDLabs 10.04 | O=S(=O)(n3ncc(c1c(OC)ccc2c1cc(C(=[N@H])N)cc2)c3)C | | OpenEye OEToolkits 1.5.0 | [H]/N=C(/c1ccc2ccc(c(c2c1)c3cnn(c3)S(=O)(=O)C)OC)\N | | OpenEye OEToolkits 1.5.0 | [H]N=C(c1ccc2ccc(c(c2c1)c3cnn(c3)S(=O)(=O)C)OC)N |
|
| Name: | 7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE |
| ChEMBL: | CHEMBL321944 |
| DrugBank: | DB03046 |
| ZINC: | ZINC000012503001 |
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