B4K
Summary
| Name: | ~{N}-[6-[3,4-bis(oxidanyl)phenyl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide |
| Formula: | C14 H12 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 284.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[6-[3,4-bis(oxidanyl)phenyl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12N4O3/c1-7(19)15-13-9-3-4-10(16-14(9)18-17-13)8-2-5-11(20)12(21)6-8/h2-6,20-21H,1H3,(H2,15,16,17,18,19) |
| InChIKey | InChI | 1.03 | ZIVJGKMCTSKCAR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1n[nH]c2nc(ccc12)c3ccc(O)c(O)c3 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1n[nH]c2nc(ccc12)c3ccc(O)c(O)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1c2ccc(nc2[nH]n1)c3ccc(c(c3)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)Nc1c2ccc(nc2[nH]n1)c3ccc(c(c3)O)O |
