JNJ-18038683

Ligand id: 8432

Name: JNJ-18038683

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 29.85
Molecular weight 337.13
XLogP 5.43
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(4-chlorophenyl)-1-(phenylmethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-d]azepine
Synonyms
JNJ 18038683
Database Links
PubChem CID 11151899
Search Google for chemical match using the InChIKey UKJPMZGILXATGT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UKJPMZGILXATGT
Search UniChem for chemical match using the InChIKey UKJPMZGILXATGT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UKJPMZGILXATGT
Comments
JNJ-18038683 is a 1:1 mixture of PubChem CID 11151899 and citric acid (2-hydroxypropane-1,2,3-tricarboxylic acid, PubChem CID 311) [1]. We only show the structure for the former moeity which is a selective serotonin 5-HT7 receptor antagonist.