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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL281622
CHEMBL281622
Compound Name CP-339818
ChEMBL Synonyms CP-339818
Max Phase 0
Trade Names
Molecular Formula C21H24N2

Additional synonyms for CHEMBL281622 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC\N=C\1/C=CN(Cc2ccccc2)c3ccccc13
Standard InChI InChI=1S/C21H24N2/c1-2-3-9-15-22-20-14-16-23(17-18-10-5-4-6- ...
Download InChI
Standard InChI Key MMGAVKCAGQCFHS-LSDHQDQOSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL281622

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
304.4 304.1939 4.78 6 17.29 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 12.11 5.67 3.68 3 23 0.58

Structural Alerts

There are 4 structural alerts for CHEMBL281622. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MMGAVKCAGQCFHS-LSDHQDQOSA-N
PubChem SID: 11114064

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL281622



BindingDB 50083523
Nikkaji J797.665H
PubChem: Thomson Pharma 14923111
SureChEMBL SCHEMBL12648579
ZINC ZINC000100002080

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