MRE 3008F20

Ligand id: 459

Name: MRE 3008F20

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 112.03
Molecular weight 432.17
XLogP 2.59
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-7-yl]-1-(4-methoxyphenyl)urea
Synonyms
MCP-NECA  | MRE 3008-F20
Database Links
ChEMBL Ligand CHEMBL302765
PubChem CID 5310960
Search Google for chemical match using the InChIKey CJRNHKSLHHWUAB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CJRNHKSLHHWUAB
Search UniChem for chemical match using the InChIKey CJRNHKSLHHWUAB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CJRNHKSLHHWUAB