Circumdatin F
AlkaPlorer ID: AK025499
Synonym: '232922-23-5', 'Circumdatin F', '(-)-Circumdatin F'
IUPAC Name: (7R)-7-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Structure
SMILES: C[C@H]1N=C(O)C2=CC=CC=C2N2C1=NC1=CC=CC=C1C2=O
InChI: InChI=1S/C17H13N3O2/c1-10-15-19-13-8-4-2-6-11(13)17(22)20(15)14-9-5-3-7-12(14)16(21)18-10/h2-10H,1H3,(H,18,21)/t10-/m1/s1
InChIKey: QMACPZZZSHLKJM-SNVBAGLBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| None | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 291.31000000000006
TPSA？: 67.48
MolLogP？: 2.764900000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/np400132m |
| Homo sapiens | HL-60 | IC50 | 10000.0 | nM | 10.1021/np400132m |
| Homo sapiens | K562 | IC50 | 10000.0 | nM | 10.1021/np400132m |
| Homo sapiens | MCF7 | IC50 | 10000.0 | nM | 10.1021/np400132m |