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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL145564
CHEMBL145564
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H31ClN6O2

Additional synonyms for CHEMBL145564 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC1=NC(C)(C)C(=C(Cl)N1Cc2ccc(cc2)c3ccccc3c4nn[nH]n4)C(=O) ...
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Standard InChI InChI=1S/C27H31ClN6O2/c1-5-7-12-22-29-27(3,4)23(26(35)36-6-2 ...
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Standard InChI Key DGKMIANMJJJSJY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL145564

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
507 506.2197 5.73 9 96.36 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 2 8 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.02 6.61 8.01 5.98 3 36 0.29

Structural Alerts

There are 5 structural alerts for CHEMBL145564. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DGKMIANMJJJSJY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL145564



BindingDB 50004155
Nikkaji J522.793C
PubChem 10006413
PubChem: Thomson Pharma 14986279
ZINC ZINC000013731117

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