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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL186684
CHEMBL186684
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H35FN2O4

Additional synonyms for CHEMBL186684 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@H](NC(=O)Cc1ccc(C(=O)O)c(OCCF)c1)c2ccccc2N3CCCCC3
Standard InChI InChI=1S/C27H35FN2O4/c1-19(2)16-23(21-8-4-5-9-24(21)30-13-6- ...
Download InChI
Standard InChI Key SOUVIYRQMIWZAJ-QHCPKHFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL186684

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
470.6 470.2581 5.17 11 78.87 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 1 6 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.4 5.78 4.56 1.49 2 34 0.47

Structural Alerts

There are 4 structural alerts for CHEMBL186684. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SOUVIYRQMIWZAJ-QHCPKHFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL186684



BindingDB 50153522
PubChem 44395006
ZINC ZINC000028389231

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