Structure

InChI Key WWRKIQZKFGMESZ-SFUJAXRZSA-N
Smile CN(C)C(=O)N1C[C@H]2C[C@](C)(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)C[C@H]2C1
InChI
InChI=1S/C18H28FN5O2/c1-18(21-8-16(25)24-11-14(19)4-15(24)7-20)5-12-9-23(10-13(12)6-18)17(26)22(2)3/h12-15,21H,4-6,8-11H2,1-3H3/t12-,13+,14-,15-,18+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H36FN5O5S
Molecular Weight 537.66
AlogP 0.82
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 79.68
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 26.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4300558
FDA SRS 2K789YO4JJ
PubChem 91667592
SureChEMBL SCHEMBL13000713
ChEMBL CHEMBL4297430
FDA SRS 06SMN21EQE
PubChem 91667592