quinelorane

Ligand id: 954

Name: quinelorane

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 55.04
Molecular weight 246.18
XLogP 1.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
International Nonproprietary Names
INN number INN
6042 quinelorane
Database Links
BindingDB Ligand 50016017
CAS Registry No. 97466-90-5 (source: Scifinder)
ChEMBL Ligand CHEMBL155731
PubChem CID 57242
Search Google for chemical match using the InChIKey TUFADSGTJUOBEH-ZWNOBZJWSA-N
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Search UniChem for chemical match using the InChIKey TUFADSGTJUOBEH-ZWNOBZJWSA-N
Search UniChem for chemicals with the same backbone TUFADSGTJUOBEH
Wikipedia Quinelorane