ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2420828
CHEMBL2420828
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H11Cl2N5O

Additional synonyms for CHEMBL2420828 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cccc(Cl)c1C(=O)Nc2ccnc(Nc3cccnn3)c2
Standard InChI InChI=1S/C16H11Cl2N5O/c17-11-3-1-4-12(18)15(11)16(24)21-10-6 ...
Download InChI
Standard InChI Key LKORSKLVAUIAOV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2420828

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
360.2 359.0341 4.17 4 79.8 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.48 4.34 2.87 2.87 3 24 0.73

Structural Alerts

There are no structural alerts for CHEMBL2420828

Compound Cross References

ChemSpider ChemSpider:LKORSKLVAUIAOV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2420828



BindingDB 50439006
IBM Patent System 8BAFF97075819094EFC737E29D9CFB09
PubChem 59618428
SureChEMBL SCHEMBL3516795
ZINC ZINC000096282826

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