MANITIMUS

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4B135RK2KL

Structure
InChI Key OQUXVPJVBSENGK-QXMHVHEDSA-N
Smile N#CCC/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1
InChI
InChI=1S/C14H10F3N3O2/c15-14(16,17)9-3-5-10(6-4-9)20-13(22)11(8-19)12(21)2-1-7-18/h3-6,21H,1-2H2,(H,20,22)/b12-11-

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10F3N3O2
Molecular Weight 309.25
AlogP 3.28
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 96.91
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 22.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Kidney Diseases 2 D007674 ClinicalTrials
Graft vs Host Disease 2 D006086 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2107757
FDA SRS 4B135RK2KL
PubChem 54686843
ZINC ZINC000100372705
CONTENTS