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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL71600
CHEMBL71600
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H18ClNO2

Additional synonyms for CHEMBL71600 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c3cccc4ccoc34
Standard InChI InChI=1S/C19H18ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16( ...
Download InChI
Standard InChI Key RUSANBIFMAXXSJ-MRXNPFEDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL71600

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
327.8 327.1026 4.38 1 36.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.81 7.97 4.27 3.6 3 23 0.72

Structural Alerts

There are no structural alerts for CHEMBL71600

Compound Cross References

ChemSpider ChemSpider:RUSANBIFMAXXSJ-MRXNPFEDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL71600



ACToR 125341-24-4
BindingDB 50010709
ChEBI 125520
LINCS LSM-37030
Nikkaji J491.727H
PubChem 130424
ZINC ZINC000005966869

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