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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1083384
CHEMBL1083384
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H22Cl2N4

Additional synonyms for CHEMBL1083384 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)\N=C/1\C=C2N(c3ccc(Cl)cc3)c4ccccc4N=C2C=C1Nc5ccc(Cl)cc5
Standard InChI InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-1 ...
Download InChI
Standard InChI Key WDQPAMHFFCXSNU-KRUMMXJUSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1083384

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
473.4 472.1222 7.14 4 39.98 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 1 4 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.16 7.46 5.8 3 33 0.41

Structural Alerts

There are 5 structural alerts for CHEMBL1083384. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WDQPAMHFFCXSNU-KRUMMXJUSA-N
PubChem SID: 144204067

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1083384



ACToR 2030-63-9
BindingDB 50318909
EPA CompTox Dashboard DTXSID7022839
Nikkaji J9.543E
PubChem: Thomson Pharma 15356285
SureChEMBL SCHEMBL5663361
ZINC ZINC000017953024

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