methyl 4-(3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazol-8-yl)benzoate
AlkaPlorer ID: AK001080
Synonym: None
IUPAC Name: methyl 4-(3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazol-8-yl)benzoate
Structure
SMILES: COC(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=NCCCN4S3
InChI: InChI=1S/C18H16N2O2S/c1-22-18(21)13-5-3-12(4-6-13)14-7-8-15-16(11-14)23-20-10-2-9-19-17(15)20/h3-8,11H,2,9-10H2,1H3
InChIKey: SOGPOBHSUZKMLG-UHFFFAOYSA-N
Reference
Multicomponent access to indolo[3,3a-c]isoquinolin-3,6-diones: formal synthesis of (±)-plicamine
PubChem CID: 118730113
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 324.4050000000001
TPSA？: 41.9
MolLogP？: 3.6132000000000026
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human immunodeficiency virus | Human immunodeficiency virus | EC50 | 160.0 | nM | 10.1016/j.bmc.2015.02.015 |
| None | ADMET | Activity | nan | None | 10.1016/j.bmc.2015.02.015 |