PDB CCD ID: | ZYW |
Number of entries in BioLiP: | 1 |
Chemical formula: | C11 H14 Br N5 O |
InChI: | InChI=1S/C11H14BrN5O/c12-9-5-14-11-8(4-15-16-11)10(9)17-1-2-18-7(3-13)6-17/h4-5,7H,1-3,6,13H2,(H,14,15,16)/t7-/m0/s1 |
InChIKey: | BJUBFXSKTBULRW-ZETCQYMHSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.6.1 | c1c2c(c(cnc2[nH]n1)Br)N3CCOC(C3)CN | ACDLabs 10.04 | Brc1cnc3c(c1N2CC(OCC2)CN)cnn3 | OpenEye OEToolkits 1.6.1 | c1c2c(c(cnc2[nH]n1)Br)N3CCO[C@H](C3)CN | CACTVS 3.352 | NC[CH]1CN(CCO1)c2c(Br)cnc3[nH]ncc23 | CACTVS 3.352 | NC[C@H]1CN(CCO1)c2c(Br)cnc3[nH]ncc23 |
|
Name: | 1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE |
DrugBank: | DB08781 |
ZINC: | ZINC000039001861 |