| PDB CCD ID: | Z3A |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H20 N4 O3 |
| InChI: | InChI=1S/C18H20N4O3/c1-11(24)15(10-23)21-17-14(18(19)25)8-20-22-9-13(7-16(17)22)12-5-3-2-4-6-12/h2-9,11,15,21,23-24H,10H2,1H3,(H2,19,25)/t11-,15-/m1/s1 |
| InChIKey: | PRWQQLFMBINSAW-IAQYHMDHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[CH](O)[CH](CO)Nc1c2cc(cn2ncc1C(N)=O)c3ccccc3 | | CACTVS 3.385 | C[C@@H](O)[C@@H](CO)Nc1c2cc(cn2ncc1C(N)=O)c3ccccc3 | | OpenEye OEToolkits 2.0.7 | CC(C(CO)Nc1c2cc(cn2ncc1C(=O)N)c3ccccc3)O | | ACDLabs 12.01 | O=C(c1cnn2c(c1NC(CO)C(O)C)cc(c2)c3ccccc3)N | | OpenEye OEToolkits 2.0.7 | C[C@H]([C@@H](CO)Nc1c2cc(cn2ncc1C(=O)N)c3ccccc3)O |
|
| Name: | 4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide |
| ChEMBL: | CHEMBL4447360 |
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