ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL233848
CHEMBL233848
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H23Cl2F3N4O4

Additional synonyms for CHEMBL233848 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N1CCC(CC1)C(=O)NCc2cc(Cl)cc(C3=CC(=C(C#N)C(=O)N3)c4cc( ...
Download SMILES
Standard InChI InChI=1S/C28H23Cl2F3N4O4/c1-14(38)37-6-4-15(5-7-37)26(40)35- ...
Download InChI
Standard InChI Key HDCCFRZARJMJEW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL233848

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
607.4 606.1048 3.78 6 122.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 1 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.28 - 3.29 2.11 2 41 0.46

Structural Alerts

There are 2 structural alerts for CHEMBL233848. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HDCCFRZARJMJEW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL233848



BindingDB 50209201
IBM Patent System 759F0D1C36810580B072A33B16C2C888
PubChem 44431582
SureChEMBL SCHEMBL2070334
ZINC ZINC000028821579

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