| PDB CCD ID: | 9E4 |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C20 H22 N6 O3 |
| InChI: | InChI=1S/C20H22N6O3/c1-12(2)26-11-22-25-18(26)15-6-5-7-17(23-15)24-20(28)14-10-13(19(27)21-3)8-9-16(14)29-4/h5-12H,1-4H3,(H,21,27)(H,23,24,28) |
| InChIKey: | WOQOZRHVLYUXPM-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CNC(=O)c1ccc(OC)c(c1)C(=O)Nc2cccc(n2)c3nncn3C(C)C | | OpenEye OEToolkits 2.0.6 | CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cc(ccc3OC)C(=O)NC | | ACDLabs 12.01 | n1ncn(C(C)C)c1c3cccc(NC(=O)c2cc(C(=O)NC)ccc2OC)n3 |
|
| Name: | 4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide |
| ChEMBL: | CHEMBL4279174 |
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