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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2336235
CHEMBL2336235
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H18Cl2N4O2

Additional synonyms for CHEMBL2336235 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(Cc1cccnc1)C(=O)c2c(C)nn(C)c2Oc3cccc(Cl)c3Cl
Standard InChI InChI=1S/C19H18Cl2N4O2/c1-12-16(18(26)24(2)11-13-6-5-9-22-10 ...
Download InChI
Standard InChI Key JAWZUNMVMJCVAE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2336235

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
405.3 404.0807 4.49 5 60.25 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.63 3.39 3.39 3 27 0.63

Structural Alerts

There are no structural alerts for CHEMBL2336235

Compound Cross References

ChemSpider ChemSpider:JAWZUNMVMJCVAE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2336235



BindingDB 50429124
PubChem 71561883
PubChem: Thomson Pharma 163562222
ZINC ZINC000095586451

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