2-amino-4-{2-bromo-8-oxo-1H,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-4-yl}-4,5-dihydro-1H-imidazol-5-one
AlkaPlorer ID: AK051519
Synonym: None
IUPAC Name: (4S)-4-[(4R)-2-amino-5-oxo-1,4-dihydroimidazol-4-yl]-2-bromo-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]azepin-8-one
Structure
SMILES: N=C1N=C(O)[C@@H]([C@H]2CCNC(=O)C3=C2C=C(Br)N3)N1
InChI: InChI=1S/C11H12BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3-4,7,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/t4-,7+/m0/s1
InChIKey: GDKCTONCNCFKMD-MHTLYPKNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cymbastela cantharella | Cymbastela | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 326.15399999999994
TPSA？: 113.36
MolLogP？: 0.8573700000000002
Number of H-Donors: 5
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|