CARICOTAMIDE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: MC09H30MFS

Structure
InChI Key WEJRSYKFMCUCRQ-UHFFFAOYSA-N
Smile NC(=O)CN1C=CCC(C(N)=O)=C1
InChI
InChI=1S/C8H11N3O2/c9-7(12)5-11-3-1-2-6(4-11)8(10)13/h1,3-4H,2,5H2,(H2,9,12)(H2,10,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11N3O2
Molecular Weight 181.19
AlogP -0.94
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 89.42
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 13.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Hepatocellular 2 D006528 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2000716
EPA CompTox DTXSID80215170
FDA SRS MC09H30MFS
PubChem 403128
SureChEMBL SCHEMBL6546956
ZINC ZINC000001661709
CONTENTS