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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1774070
CHEMBL1774070
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H30N4O2

Additional synonyms for CHEMBL1774070 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccccc1N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2
Standard InChI InChI=1S/C23H30N4O2/c1-18-6-2-3-7-20(18)27-15-13-26(14-16-27 ...
Download InChI
Standard InChI Key CRHLQSKLPOQEER-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1774070

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
394.5 394.2369 3.26 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 7.78 2.43 2.09 2 29 0.73

Structural Alerts

There are 1 structural alerts for CHEMBL1774070. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CRHLQSKLPOQEER-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1774070



BindingDB 50343267
IBM Patent System DA514EAB790E892E95EAFC36573ECEB1
PubChem 21073817
SureChEMBL SCHEMBL5371688
ZINC ZINC000071319072

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