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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL534943
CHEMBL534943
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H31Cl2N3O

Additional synonyms for CHEMBL534943 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.Cl.C(CN1CCCCC1)CN2CCC(CC2)c3noc4ccccc34
Standard InChI InChI=1S/C20H29N3O.2ClH/c1-4-11-22(12-5-1)13-6-14-23-15-9-17 ...
Download InChI
Standard InChI Key PDSUZKHTPFLIIA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL534943

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
327.5 327.2311 3.88 5 32.51 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.74 3.7 .82 2 24 0.83

Structural Alerts

There are no structural alerts for CHEMBL534943

Compound Cross References

ChemSpider ChemSpider:PDSUZKHTPFLIIA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL534943



PubChem 45263451

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