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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1255822
CHEMBL1255822
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16N2O2

Additional synonyms for CHEMBL1255822 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(Nc1ccccc1)OCCCc2cccnc2
Standard InChI InChI=1S/C15H16N2O2/c18-15(17-14-8-2-1-3-9-14)19-11-5-7-13-6 ...
Download InChI
Standard InChI Key CYIYSZYKJGXBSG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1255822

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
256.3 256.1212 3.26 5 51.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.73 5.38 2.72 2.71 2 19 0.84

Structural Alerts

There are 2 structural alerts for CHEMBL1255822. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CYIYSZYKJGXBSG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1255822



BindingDB 50417101
Nikkaji J663.041C
PubChem 10060963
PubChem: Thomson Pharma 15045301
ZINC ZINC000034147861

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