85079-45-4
AlkaPlorer ID: AK041394
Synonym: '', '6-Bromoaplysinopsin'
IUPAC Name: 5-[(6-bromoindol-3-ylidene)methyl]-2-imino-1,3-dimethylimidazol-4-ol
Structure
SMILES: CN1C(=N)N(C)C(=CC2=CNC3=CC(Br)=CC=C23)C1=O
InChI: InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-6-9(15)3-4-10(8)11/h3-7,16-17H,1-2H3
InChIKey: OVVZEMAUZWSOHR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Verongula rigida | Verongula | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 333.1890000000001
TPSA？: 63.190000000000005
MolLogP？: 2.609870000000001
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|