| PDB CCD ID: | S4O |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H13 N3 O5 |
| InChI: | InChI=1S/C13H13N3O5/c1-15-9-6-16(3-2-8(9)12(19)14-15)13(20)10-4-7(17)5-11(18)21-10/h4-5,17H,2-3,6H2,1H3,(H,14,19) |
| InChIKey: | JMIDLJFHIRGERG-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cn1nc(O)c2CCN(Cc12)C(=O)C3=CC(=CC(=O)O3)O | | ACDLabs 12.01 | OC=1C=C(OC(=O)C=1)C(=O)N1Cc2n(C)nc(O)c2CC1 | | OpenEye OEToolkits 2.0.7 | Cn1c2c(c(n1)O)CCN(C2)C(=O)C3=CC(=CC(=O)O3)O |
|
| Name: | 4-hydroxy-6-(3-hydroxy-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carbonyl)-2H-pyran-2-one |
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