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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1774068
CHEMBL1774068
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H26ClFN4O2

Additional synonyms for CHEMBL1774068 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Standard InChI InChI=1S/C22H26ClFN4O2/c23-21-17(24)4-3-5-18(21)28-13-11-27( ...
Download InChI
Standard InChI Key NAMQSYKUAOZTKL-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1774068

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
432.9 432.1728 3.74 7 57.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.79 7.61 2.64 2.45 2 30 0.68

Structural Alerts

There are 1 structural alerts for CHEMBL1774068. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NAMQSYKUAOZTKL-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1774068



BindingDB 50343265
IBM Patent System 4697C0572C0049A4293494275E0E2972
PubChem 21073579
SureChEMBL SCHEMBL5371648
ZINC ZINC000071329756

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