N-chloromethyl-brucine

Ligand id: 344

Name: N-chloromethyl-brucine

Abbreviated name: CMB

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 48
Molecular weight 443.17
XLogP 0.34
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Natural product or derivative
IUPAC Name
(1S,11S,18S,20R,21R,22S)-17-(chloromethyl)-4,5-dimethoxy-9-oxo-12-oxa-8,17-diazaheptacyclo[15.5.2.0^{1,18}.0^{2,7}.0^{8,22}.0^{11,21}.0^{15,20}]tetracosa-2(7),3,5,14-tetraen-17-ium
Synonyms
N-chloromethylbrucine
Database Links
ChEMBL Ligand CHEMBL139677
GtoPdb PubChem SID 135652706
PubChem CID 44358908
Search Google for chemical match using the InChIKey GCEPQLWZBVGLQN-CQIPDZJVSA-N
Search Google for chemicals with the same backbone GCEPQLWZBVGLQN
Search UniChem for chemical match using the InChIKey GCEPQLWZBVGLQN-CQIPDZJVSA-N
Search UniChem for chemicals with the same backbone GCEPQLWZBVGLQN