ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL519253
CHEMBL519253
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H21ClN6O4S

Additional synonyms for CHEMBL519253 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(cc1)N2CCN(CC2)S(=O)(=O)c3ccc(cc3)c4nc5NC(=O)N(CC#C)C ...
Download SMILES
Standard InChI InChI=1S/C24H21ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27 ...
Download InChI
Standard InChI Key WVZOHGLIFIHKRP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL519253

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
525 524.1034 1.88 5 124.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.66 4.05 3.71 1.72 4 36 0.38

Structural Alerts

There are 3 structural alerts for CHEMBL519253. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WVZOHGLIFIHKRP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL519253



BindingDB 50268233
PubChem 44185872
PubChem: Thomson Pharma 85181275
ZINC ZINC000042888355

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