| PDB CCD ID: | Y9O |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C22 H23 Cl N4 O4 |
| InChI: | InChI=1S/C22H23ClN4O4/c1-14-10-19(31-13-20-24-25-22(29)26(20)2)17(12-18(14)23)15-4-3-5-16(11-15)21(28)27-6-8-30-9-7-27/h3-5,10-12H,6-9,13H2,1-2H3,(H,25,29) |
| InChIKey: | FUMNXHJNCMFWAW-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(c1cccc(c1)c1cc(Cl)c(C)cc1OCC1=NNC(=O)N1C)N1CCOCC1 | | OpenEye OEToolkits 2.0.7 | Cc1cc(c(cc1Cl)c2cccc(c2)C(=O)N3CCOCC3)OCC4=NNC(=O)N4C | | CACTVS 3.385 | CN1C(=O)NN=C1COc2cc(C)c(Cl)cc2c3cccc(c3)C(=O)N4CCOCC4 |
|
| Name: | 5-({[(1M)-5-chloro-4-methyl-3'-(morpholine-4-carbonyl)[1,1'-biphenyl]-2-yl]oxy}methyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
umich.edu