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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1490469
CHEMBL1490469
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H20N2

Additional synonyms for CHEMBL1490469 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CN(CCN1)C(c2ccccc2)c3ccccc3
Standard InChI InChI=1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13- ...
Download InChI
Standard InChI Key NWVNXDKZIQLBNM-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1490469

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
252.4 252.1626 2.68 3 15.27 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.05 2.4 .81 2 19 0.9

Structural Alerts

There are no structural alerts for CHEMBL1490469

Compound Cross References

ChemSpider ChemSpider:NWVNXDKZIQLBNM-UHFFFAOYSA-N
PubChem SID: 49669667

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1490469



ACToR 841-77-0
eMolecules 507493
EPA CompTox Dashboard DTXSID80232968
IBM Patent System 955BACE97758D6EA45F179FFAE71FB1C
Mcule MCULE-6788049787
MolPort MolPort-000-151-367
Nikkaji J29.024F
PubChem 70048
PubChem: Thomson Pharma 15122275
SureChEMBL SCHEMBL219432
ZINC ZINC000019230112

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