Structure

InChI Key HWXIGFIVGWUZAO-UHFFFAOYSA-N
Smile Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O
InChI
InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14N4O4
Molecular Weight 266.26
AlogP -1.19
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 80.28
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 3 D001249 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 94714
ChEMBL CHEMBL1527608
DrugBank DB09273
DrugCentral 959
EPA CompTox DTXSID7022968
FDA SRS MPM23GMO7Z
PubChem 50942
SureChEMBL SCHEMBL37963
ZINC ZINC000000003837