| PDB CCD ID: | XWX |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H17 Cl N4 O3 |
| InChI: | InChI=1S/C17H17ClN4O3/c1-10-7-14(25-9-15-20-21-17(23)22(15)2)12(8-13(10)18)11-5-4-6-19-16(11)24-3/h4-8H,9H2,1-3H3,(H,21,23) |
| InChIKey: | VRWZUAIGDKFRPU-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | COc1ncccc1c1cc(Cl)c(C)cc1OCC1=NNC(=O)N1C | | OpenEye OEToolkits 2.0.7 | Cc1cc(c(cc1Cl)c2cccnc2OC)OCC3=NNC(=O)N3C | | CACTVS 3.385 | COc1ncccc1c2cc(Cl)c(C)cc2OCC3=NNC(=O)N3C |
|
| Name: | 5-({[(2P)-4-chloro-2-(2-methoxypyridin-3-yl)-5-methylphenyl]oxy}methyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
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