| Phytochemical Name : (S)-(+)-2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione |
| PCNDIDOT0241 |
| Pubchem CID : 677114 |
| Molecular formula: C12H12N2O2 |
| Canonical SMILES : C1CC2C(=O)NC3=CC=CC=C3C(=O)N2C1 |
Synonymes : (S)-(+)-2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione|Cycloanthranilylproline|138865-23-3|(6aS)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione|PBD-5,11-dione|Oprea1_043936|CHEMBL388863|SCHEMBL7270310|CHEBI:181479|DTXSID601347283|MFCD00075201|AKOS000773648|NCGC00160211-01|CS-0324402|(11As)-Pyrrolo[2,1-C][1,4]Benzodiazepine|SR-01000375357|J-012166|SR-01000375357-1|(11aS)-1,2,3,10,11,11a-Hexahydro-5H-Pyrrolo[2,1-c][1,4]Benzodiazepin-5,11-Dione|(S)-(+)-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazapine-5,11(10H,11aH)-dione|(S)-(+)-2,3-Dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione, 99%|(S)-1,2,3,11a-tetrahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11(10H)-dione|(S)-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione|1H-Pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11ah)-dione,2,3-dihydro-,hydrate(1:2),(11as)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.770 |
| Log Po/w (XLOGP3) : 0.890 |
| Log Po/w (WLOGP) : 0.290 |
| Log Po/w (MLOGP) : 1.190 |
| Log Po/w (SILICOS-IT) : 1.210 |
| Consensus Log Po/w : 1.070 |