Structure

InChI Key SWKDMSRRIBZZAY-UHFFFAOYSA-N
Smile Cl.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1
InChI
InChI=1S/C17H19N3.ClH/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,18,19);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20ClN3
Molecular Weight 301.82
AlogP 2.69
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 27.63
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pterygium 3 D011625 ClinicalTrials
Inflammation 3 D007249 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1256819
EPA CompTox DTXSID1047782
FDA SRS FP8Q8F72JH
PubChem 17275
SureChEMBL SCHEMBL1649651