example 7 [US8664233]

Ligand id: 8283

Name: example 7 [US8664233]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 78.96
Molecular weight 374.19
XLogP 2.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-ethoxy-2-piperazin-1-yl-7-pyridin-4-yl-5H-pyrimido[5,4-b]indole
Database Links
GtoPdb PubChem SID 252166495
PubChem CID 24990553
Search Google for chemical match using the InChIKey HFGHRUCCKVYFKL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HFGHRUCCKVYFKL
Search UniChem for chemical match using the InChIKey HFGHRUCCKVYFKL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HFGHRUCCKVYFKL
Comments
This compound is a particularly preferred example in patent US8664233 [1] which covers compounds for use in treating non-solid malignant hematological tumours, in particular, B cell leukemias.