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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL443844
CHEMBL443844
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H13Cl3N4O

Additional synonyms for CHEMBL443844 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NN1C(=O)c2c(N=C1c3ccc(Cl)cc3)c(nc4ccc(Cl)cc24)c5ccc(Cl)cc5
Standard InChI InChI=1S/C23H13Cl3N4O/c24-14-5-1-12(2-6-14)20-21-19(17-11-16 ...
Download InChI
Standard InChI Key SCEYVMIYTLSPLR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL443844

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
467.7 466.0155 5.95 2 73.8 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 1 5 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.39 6.22 6.22 5 31 0.26

Structural Alerts

There are 3 structural alerts for CHEMBL443844. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SCEYVMIYTLSPLR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL443844



PubChem 16126264
PubChem: Thomson Pharma 24775039
ZINC ZINC000028708404

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