Vasnetine
AlkaPlorer ID: AK037296
Synonym: ''
IUPAC Name: methyl 2-[[(3S)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl]amino]benzoate
Structure
SMILES: COC(=O)C1=CC=CC=C1N[C@H]1CCN2C1=NC1=CC=CC=C1C2=O
InChI: InChI=1S/C19H17N3O3/c1-25-19(24)13-7-3-5-9-15(13)20-16-10-11-22-17(16)21-14-8-4-2-6-12(14)18(22)23/h2-9,16,20H,10-11H2,1H3/t16-/m0/s1
InChIKey: XROLSYQINIGIQK-INIZCTEOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Justicia adhatoda | Justicia | Acanthaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 335.36300000000006
TPSA？: 73.22
MolLogP？: 2.740000000000001
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|