| PDB CCD ID: | 67C |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C20 H21 N3 O2 |
| InChI: | InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3 |
| InChIKey: | VNCNIMOILJQAGJ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.4 | CN(C)C(=O)c1cccc(c1)C2=CN(C(=O)c3c2cc[nH]3)CCC=C | | ACDLabs 12.01 | CN(C(=O)c1cc(ccc1)C=3c2c(ncc2)C(N(C=3)CC[C@H]=C)=O)C | | CACTVS 3.385 | CN(C)C(=O)c1cccc(c1)C2=CN(CCC=C)C(=O)c3[nH]ccc23 |
|
| Name: | 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide |
| ChEMBL: | CHEMBL4436158 |
| ZINC: | ZINC000584905321 |
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