| PDB CCD ID: | 81Y |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H22 N4 O2 |
| InChI: | InChI=1S/C19H22N4O2/c1-13(2)25-15-3-4-17-16(12-15)19(22-21-17)14-5-6-20-18(11-14)23-7-9-24-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,22) |
| InChIKey: | BGTSLFFCVKEYPT-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(C)Oc1ccc2[nH]nc(c3ccnc(c3)N4CCOCC4)c2c1 | | ACDLabs 12.01 | CC(C)Oc1cc2c(cc1)nnc2c3ccnc(c3)N4CCOCC4 | | OpenEye OEToolkits 2.0.6 | CC(C)Oc1ccc2c(c1)c(n[nH]2)c3ccnc(c3)N4CCOCC4 |
|
| Name: | 3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole;
MLi-2 |
| ChEMBL: | CHEMBL4100904 |
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