Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 82MA79VJ33

Structure

InChI Key WTERNLDOAPYGJD-SFHVURJKSA-N
Smile C[C@](C#N)(COc1cc(C#N)ccc1C(F)(F)F)NC(=O)c1ccc(SC(F)(F)F)cc1
InChI
InChI=1S/C20H13F6N3O2S/c1-18(10-28,11-31-16-8-12(9-27)2-7-15(16)19(21,22)23)29-17(30)13-3-5-14(6-4-13)32-20(24,25)26/h2-8H,11H2,1H3,(H,29,30)/t18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H13F6N3O2S
Molecular Weight 473.4
AlogP 5.28
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 85.91
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Motor Neuron Disease 1 D016472 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 78621
ChEMBL CHEMBL256563
FDA SRS 82MA79VJ33
SureChEMBL SCHEMBL1547706
ZINC ZINC000029045455