| PDB CCD ID: | K0I |
| Number of entries in BioLiP: | 7 |
| Chemical formula: | C22 H23 N5 O2 |
| InChI: | InChI=1S/C22H23N5O2/c28-21(29)8-12-24-19-15-20(26-22(25-19)18-7-3-4-11-23-18)27-13-9-16-5-1-2-6-17(16)10-14-27/h1-7,11,15H,8-10,12-14H2,(H,28,29)(H,24,25,26) |
| InChIKey: | AVZCPICCWKMZDT-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)CCNc1cc(nc(n1)c2ccccn2)N3CCc4ccccc4CC3 | | OpenEye OEToolkits 1.7.6 | c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O | | ACDLabs 12.01 | O=C(O)CCNc2nc(c1ncccc1)nc(c2)N3CCc4c(CC3)cccc4 |
|
| Name: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid;
3-((6-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid |
| ChEMBL: | CHEMBL3188597 |
| ZINC: | ZINC000095616592 |
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