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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1615433
CHEMBL1615433
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H30NO3

Additional synonyms for CHEMBL1615433 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3
Standard InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24 ...
Download InChI
Standard InChI Key OEXHQOGQTVQTAT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1615433

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
332.5 332.2226 1.09 6 46.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -3.71 -3.71 1 24 0.63

Structural Alerts

There are 2 structural alerts for CHEMBL1615433. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OEXHQOGQTVQTAT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1615433



ACToR 60205-81-4
BindingDB 50378083 82372 50355610
ChEBI 91495
Guide to Pharmacology 325
IBM Patent System 7B413DCA1A3F14049364956A38FDA484
LINCS LSM-1268
Mcule MCULE-9149653773
Metabolights MTBLC91495
NIH Clinical Collection SAM002564215
PubChem 3746
SureChEMBL SCHEMBL3124

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