ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL215833
CHEMBL215833
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C38H48FN9O6

Additional synonyms for CHEMBL215833 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N3CCN([C@@H](CCCN=C(N)N)C3=O)C( ...
Download SMILES
Standard InChI InChI=1S/C38H48FN9O6/c1-23(49)45-29(15-16-33(40)50)34(51)46- ...
Download InChI
Standard InChI Key ZRHYLFBORVIBEU-RACKDBBVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL215833

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
745.9 745.3712 0.23 17 235.41 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 6 2 15 9 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.21 13.44 -.43 -2.43 3 54 0.06

Structural Alerts

There are 5 structural alerts for CHEMBL215833. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZRHYLFBORVIBEU-RACKDBBVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL215833



BindingDB 50189025
PubChem 44416057
ZINC ZINC000095606952

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ZRHYLFBORVIBEU-RACKDBBVSA-N spacer
spacer