| PDB CCD ID: | 9Z4 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H19 N5 O2 |
| InChI: | InChI=1S/C18H19N5O2/c1-2-16(24)22-13-6-3-5-12(9-13)10-20-17-14(18(19)25)11-21-23-8-4-7-15(17)23/h3-9,11,20H,2,10H2,1H3,(H2,19,25)(H,22,24) |
| InChIKey: | NLMYDZAEGAXRHW-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CCC(=O)Nc1cccc(CNc2c3cccn3ncc2C(N)=O)c1 | | ACDLabs 12.01 | c21n(ccc1)ncc(c2NCc3cccc(c3)NC(=O)CC)C(N)=O | | OpenEye OEToolkits 2.0.6 | CCC(=O)Nc1cccc(c1)CNc2c3cccn3ncc2C(=O)N |
|
| Name: | 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide;
4-({[3-(acryloylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide bound form |
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