Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: QD4VI0J9T5

Structure

InChI Key UJNWGFBJUHIJKK-UHFFFAOYSA-N
Smile Cc1cccc(N2CCN(CCc3ccc4ccccc4n3)CC2)c1
InChI
InChI=1S/C22H25N3/c1-18-5-4-7-21(17-18)25-15-13-24(14-16-25)12-11-20-10-9-19-6-2-3-8-22(19)23-20/h2-10,17H,11-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25N3
Molecular Weight 331.46
AlogP 3.91
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 19.37
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Shock 3 D012769 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4594437
EPA CompTox DTXSID40206680
FDA SRS QD4VI0J9T5
PubChem 162163
SureChEMBL SCHEMBL10029638
ZINC ZINC000000001105