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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL283871
CHEMBL283871
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H18ClNO2

Additional synonyms for CHEMBL283871 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc2C[C@H]3N(CCCl)CCc4cccc(c34)c2c1O
Standard InChI InChI=1S/C18H18ClNO2/c19-7-9-20-8-6-11-2-1-3-13-16(11)14(20) ...
Download InChI
Standard InChI Key RMKWDBUEXHJPRZ-CQSZACIVSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL283871

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
315.8 315.1026 3.78 2 43.7 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.17 1.41 4.81 3.65 2 22 0.66

Structural Alerts

There are 12 structural alerts for CHEMBL283871. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RMKWDBUEXHJPRZ-CQSZACIVSA-N
Wikipedia Chloroethylnorapomorphine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL283871



ACToR 75946-94-0
EPA CompTox Dashboard DTXSID90226853
IBM Patent System 8A8D2F425669DFCA3573D77C6339BB99
PubChem 156376
PubChem: Thomson Pharma 14950520
ZINC ZINC27653862

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