| PDB CCD ID: | 1PU |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C17 H16 N4 O2 |
| InChI: | InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1 |
| InChIKey: | KLVYMYQTRZCMLE-CYBMUJFWSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1ccnc(c1)NC(=O)Nc2cccc3c2[C@H]4CCCN4C3=O | | CACTVS 3.341 | O=C(Nc1ccccn1)Nc2cccc3C(=O)N4CCC[CH]4c23 | | OpenEye OEToolkits 1.5.0 | c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCN4C3=O | | CACTVS 3.341 | O=C(Nc1ccccn1)Nc2cccc3C(=O)N4CCC[C@@H]4c23 | | ACDLabs 10.04 | O=C3c1c(c(ccc1)NC(=O)Nc2ncccc2)C4N3CCC4 |
|
| Name: | 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA;
N'-(PYRROLIDINO[2,1-B]ISOINDOLIN-4-ON-8-YL)-N-(PYRIDIN-2-YL)UREA |
| ChEMBL: | CHEMBL141247 |
| DrugBank: | DB04186 |
| ZINC: | ZINC000003591058 |
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