BNTX

Ligand id: 1634

Name: BNTX

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 70
Molecular weight 429.19
XLogP 4.54
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S,5R,13R,15Z,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-15-(phenylmethylidene)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-one
Synonyms
7-benzylidenenaltrexone | Bntx-7
Database Links
CAS Registry No. 129468-28-6 (source: Scifinder)
ChEMBL Ligand CHEMBL101519
PubChem CID 6438353
Search Google for chemical match using the InChIKey WXOUFNFMPVMGFZ-XEGDMQTMSA-N
Search Google for chemicals with the same backbone WXOUFNFMPVMGFZ
Search UniChem for chemical match using the InChIKey WXOUFNFMPVMGFZ-XEGDMQTMSA-N
Search UniChem for chemicals with the same backbone WXOUFNFMPVMGFZ