6,12-dimethyl 5,11-diamino-2-(4-methylphenyl)-4,10-dioxatricyclo[7.3.0.0³,⁷]dodeca-1,3(7),5,8,11-pentaene-6,12-dicarboxylate
AlkaPlorer ID: AK102329
Synonym: None
IUPAC Name: dimethyl 2,6-diamino-4-(4-methylphenyl)furo[2,3-f][1]benzofuran-3,7-dicarboxylate
Structure
SMILES: COC(=O)C1=C(N)OC2=C1C=C1OC(N)=C(C(=O)OC)C1=C2C1=CC=C(C)C=C1
InChI: InChI=1S/C21H18N2O6/c1-9-4-6-10(7-5-9)13-15-12(28-19(23)16(15)21(25)27-3)8-11-14(20(24)26-2)18(22)29-17(11)13/h4-8H,22-23H2,1-3H3
InChIKey: SYXVVCNKPGXHKS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 394.38300000000015
TPSA？: 130.92
MolLogP？: 3.892020000000002
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Adenosine A2a receptor | Inhibition | -10.0 | % | 10.1021/jm901647p |
| Homo sapiens | Adenosine A2a receptor | Ki | 100000.0 | nM | 10.1021/jm901647p |