2-Amino-3H-phenoxazin-3-one; N-Ac
AlkaPlorer ID: AK013005
Synonym: N-(3-Oxo-3H-phenoxazin-2-yl)acetamide, 2-Acetamido-3H-phenoxazin-3-one, N-Acetylquestiomycin A
IUPAC Name: N-(3-oxophenoxazin-2-yl)acetamide
Structure
SMILES: CC(O)=NC1=CC2=NC3=CC=CC=C3OC2=CC1=O
InChI: InChI=1S/C14H10N2O3/c1-8(17)15-10-6-11-14(7-12(10)18)19-13-5-3-2-4-9(13)16-11/h2-7H,1H3,(H,15,17)
InChIKey: DWOBTNSFRDZSMA-UHFFFAOYSA-N
Reference
PubChem CID: 193337
CAS: 1916-55-8
SuperNatural Ⅲ: SN0077425
NPASS: NPC297584
COCONUT: CNP0166335
data_source: manually
Source
Properties Information
Molecule Weight: 254.245
TPSA?: 75.69
MolLogP?: 2.9007000000000014
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | CCRF-CEM | IC50 | 50000.0 | nM | 10.1021/jm020913z |
| Homo sapiens | CCRF-SB | IC50 | 3600.0 | nM | 10.1021/jm020913z |
| Homo sapiens | HeLa | IC50 | 8200.0 | nM | 10.1021/jm020913z |
| Homo sapiens | HEp-2 | IC50 | 1400.0 | nM | 10.1021/jm020913z |
| Homo sapiens | MT4 | IC50 | 9500.0 | nM | 10.1021/jm020913z |
