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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2443009
CHEMBL2443009
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H30FN5O

Additional synonyms for CHEMBL2443009 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1N2CCN(Cc3cn(CCCCCCF)nn3)CC2
Standard InChI InChI=1S/C20H30FN5O/c1-27-20-9-5-4-8-19(20)25-14-12-24(13-15 ...
Download InChI
Standard InChI Key UQNPMHBOQOCPSK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2443009

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
375.5 375.2434 3.14 10 46.42 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.57 3.28 3.16 2 27 0.6

Structural Alerts

There are 5 structural alerts for CHEMBL2443009. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UQNPMHBOQOCPSK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2443009



BindingDB 50442747
PubChem 72544566
ZINC ZINC000096286417

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