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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1927088
CHEMBL1927088
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H26N6O

Additional synonyms for CHEMBL1927088 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1N2CCN(CCCN\C(=N/C#N)\c3ccccn3)CC2
Standard InChI InChI=1S/C21H26N6O/c1-28-20-9-3-2-8-19(20)27-15-13-26(14-16- ...
Download InChI
Standard InChI Key QDINHVYVESYLKG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1927088

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
378.5 378.2168 2.12 7 76.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.4 2.84 2.57 2 28 0.34

Structural Alerts

There are 7 structural alerts for CHEMBL1927088. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QDINHVYVESYLKG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1927088



BindingDB 50359954
PubChem 56971026
PubChem: Thomson Pharma 135691441
ZINC ZINC000073389814

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