Structure

InChI Key NSMXQKNUPPXBRG-SECBINFHSA-N
Smile C[C@@H](O)CCCCn1c(=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-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H20N4O3
Molecular Weight 280.33
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
Diabetes Mellitus, Type 1 2 D003922 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 100324-81-0
ChEBI 143527
ChEMBL CHEMBL1411
DrugBank DB12406
EPA CompTox DTXSID7058709
FDA SRS L1F2Q2X956
Guide to Pharmacology 9225
PubChem 501254
SureChEMBL SCHEMBL39131
ZINC ZINC000001887263