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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL556759
CHEMBL556759
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H21ClN2

Additional synonyms for CHEMBL556759 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.C1CN(CCN1)c2cc(cc3ccccc23)c4ccccc4
Standard InChI InChI=1S/C20H20N2.ClH/c1-2-6-16(7-3-1)18-14-17-8-4-5-9-19(17 ...
Download InChI
Standard InChI Key KWMRGHVKZYUHCO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL556759

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
288.4 288.1626 3.92 2 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
- 8.93 4.23 2.84 3 22 0.77

Structural Alerts

There are no structural alerts for CHEMBL556759

Compound Cross References

ChemSpider ChemSpider:KWMRGHVKZYUHCO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL556759



PubChem 45263170

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