| PDB CCD ID: | D9W |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H17 Br N4 O2 |
| InChI: | InChI=1S/C17H17BrN4O2/c1-17(10-24-9-15(19)22-17)11-3-2-4-13(7-11)21-16(23)14-6-5-12(18)8-20-14/h2-8H,9-10H2,1H3,(H2,19,22)(H,21,23)/t17-/m0/s1 |
| InChIKey: | HALWMQVNBCAXRZ-KRWDZBQOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br | | CACTVS 3.385 | C[C]1(COCC(=N1)N)c2cccc(NC(=O)c3ccc(Br)cn3)c2 | | OpenEye OEToolkits 2.0.6 | CC1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br | | CACTVS 3.385 | C[C@]1(COCC(=N1)N)c2cccc(NC(=O)c3ccc(Br)cn3)c2 |
|
| Name: | ~{N}-[3-[(3~{R})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide |
| ChEMBL: | CHEMBL3653341 |
| ZINC: | ZINC000113657297 |
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