EM-TBPC

Ligand id: 3363

Name: EM-TBPC

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 61.55
Molecular weight 382.17
XLogP 4.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-ethyl-2-methyl-6-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl)-1,6-dihydropyrimidine-5-carbonitrile
Database Links
GtoPdb PubChem SID 178100388
PubChem CID 9904703
Search Google for chemical match using the InChIKey QNUVWRAGDSGAKX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QNUVWRAGDSGAKX
Search UniChem for chemical match using the InChIKey QNUVWRAGDSGAKX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QNUVWRAGDSGAKX