Synonyms:
Status: Approved (1990)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: S01EX02
UNII: 5RNZ8GJO7K

Structure

InChI Key RFWZESUMWJKKRN-UHFFFAOYSA-N
Smile Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1
InChI
InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H27N5
Molecular Weight 325.46
AlogP 2.29
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 37.19
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 51066
ChEMBL CHEMBL1201216
DrugBank DB00298
DrugCentral 781
EPA CompTox DTXSID90223140
FDA SRS 5RNZ8GJO7K
Human Metabolome Database HMDB0014443
Guide to Pharmacology 7155
PharmGKB PA164749109
PubChem 3033538
SureChEMBL SCHEMBL152543
ZINC ZINC000000001246