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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2002405
CHEMBL2002405
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H29NO2

Additional synonyms for CHEMBL2002405 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC[C@@H](C)\C=C\1/CN2CCC[C@H]2[C@@](C)(O)[C@@H]1O
Standard InChI InChI=1S/C16H29NO2/c1-4-5-7-12(2)10-13-11-17-9-6-8-14(17)16( ...
Download InChI
Standard InChI Key LWXKAVPXEDNHLL-VRUXTKGDSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2002405

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
267.4 267.2198 2.33 4 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
13.75 7.69 2.6 1.93 0 19 0.77

Structural Alerts

There are 2 structural alerts for CHEMBL2002405. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LWXKAVPXEDNHLL-VRUXTKGDSA-N
PubChem SID: 526408

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2002405



ACToR 73376-38-2
Nikkaji J464.939G
PubChem 5470308
PubChem: Thomson Pharma 16109108

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