Structure

InChI Key NSMXQKNUPPXBRG-WHPHVCHMSA-N
Smile [2H]C([2H])([2H])[C@H](O)C([2H])([2H])CCCn1c(=O)c2c(ncn2C)n(C)c1=O
InChI
InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m0/s1/i1D3,6D2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H20N4O3
Molecular Weight 285.36
AlogP -0.02
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 82.05
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Necrobiosis Lipoidica 2 D009335 ClinicalTrials
Diabetic Nephropathies 1 D003928 ClinicalTrials
Renal Insufficiency, Chronic 1 D051436 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297371
DrugBank DB15122
FDA SRS FLV771E8ZV
PubChem 51041322
SureChEMBL SCHEMBL173235