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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1084615
CHEMBL1084615
Compound Name
ChEMBL Synonyms SEN-12333 | WAY-317538
Max Phase 0
Trade Names
Molecular Formula C20H25N3O2

Additional synonyms for CHEMBL1084615 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(CCCCN1CCOCC1)Nc2ccc(cc2)c3cccnc3
Standard InChI InChI=1S/C20H25N3O2/c24-20(5-1-2-11-23-12-14-25-15-13-23)22- ...
Download InChI
Standard InChI Key XCHIZTUBUXZESJ-UHFFFAOYSA-N

Structural Alerts

There are 2 structural alerts for CHEMBL1084615. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1084615

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
339.4 339.1947 2.04 7 54.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.45 2.16 1.84 2 25 0.79

Compound Cross References

ChemSpider ChemSpider:XCHIZTUBUXZESJ-UHFFFAOYSA-N
Wikipedia WAY-317,538

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1084615



BindinDB 50300802
IBM Patent System 1D19D9C05CD42C83AB0433CDC3F8BCA1
IBM Patents US20080275028
PubChem 45484303
SureChEMBL SCHEMBL676043
ZINC ZINC43205680

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