SCS-C008164
oxazoquinolinone G
Chemical Structure
Loading 3D structure...
3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.
Source Information
Drug-likeness (Lipinski Ro5)
Molecular Weight
334.3 Da
Threshold ≤ 500
ALogP
-0.05
Threshold ≤ 5
H-Bond Donors
2
Threshold ≤ 5
H-Bond Acceptors
7
Threshold ≤ 10
Passes Lipinski Rule of Five — drug-like candidate
Chemical Properties
Molecular Formula:
C16H18N2O6
Molecular Weight:
334.3280 Da
SMILES:
CNC1=CC(=O)C2=C(C[C@H](C)[C@@]3(C)OC(=O)[C@H](CC(=O)O)N23)C1=O
InChIKey:
HCEYIWAGLILVDL-SVTHCXHUSA-N
InChI:
InChI=1S/C16H18N2O6/c1-7-4-8-13(11(19)5-9(17-3)14(8)22)18-10(6-12(20)21)15(23)24-16(7,18)2/h5,7,10,17H,4,6H2,1-3H3,(H,20,21)/t7-,10-,16+/m0/s1
Calculated Properties
ALogP:
-0.046 lipophilicity
TPSA:
113.01 Ų polar surface area
H-Bond Donors:
2
H-Bond Acceptors:
7
Rotatable Bonds:
3
Ring Count:
3
(0 aromatic)
Chiral Centers:
3
Fsp³:
0.5000 fraction sp³ carbon
Database Information
Compound ID:
SCS-C008164
NPClassifier Pathway:
N/A
NPClassifier Superclass:
N/A
NPClassifier Class:
N/A
Glycoside:
No
NPClassifier Status:
No classification
External Links:
General chemistry
Natural product databases
Biological Activity Data
Activity values are displayed only when a quantitative or clearly reported result is available.
Tested organisms, cell lines and molecular targets are shown under Target / model.
| Activity | Assay | Target / model | Result | Reference |
|---|---|---|---|---|
| Antitumor | — | HaCaT | All compounds were evaluated for cytotoxic activity against the human glioma cell line (LN229, GSC0617), human breast cancer cell (MDA-MB-231), and human keratinocytes (HaCaT). No compounds showed cytotoxicity at 10 μM. | 10.1021/acs.orglett.4c04491 Organic Letters |