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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2377261
CHEMBL2377261
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H29NO3

Additional synonyms for CHEMBL2377261 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N(CCOC(=O)C(O)(c1ccccc1)c2ccccc2)C(C)C
Standard InChI InChI=1S/C22H29NO3/c1-17(2)23(18(3)4)15-16-26-21(24)22(25,19 ...
Download InChI
Standard InChI Key NHFIEMNGVIAFJO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2377261

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
355.5 355.2147 3.58 8 49.77 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.31 9.36 3.19 1.27 2 26 0.74

Structural Alerts

There are 5 structural alerts for CHEMBL2377261. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NHFIEMNGVIAFJO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2377261



eMolecules 4478410
Mcule MCULE-6418019459
MolPort MolPort-002-577-324
PubChem 425249
ZINC ZINC000001692946

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