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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL493632
CHEMBL493632
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H31FN2O3

Additional synonyms for CHEMBL493632 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@H](CC[C@H]3[C@H](\C=C\c4ccc ...
Download SMILES
Standard InChI InChI=1S/C28H31FN2O3/c1-16-27-25(11-8-22-7-6-19(15-30-22)18- ...
Download InChI
Standard InChI Key XZOULICPSKKNIM-PMUYMYJASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL493632

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
462.6 462.2319 5.02 4 68.29 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 1 5 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.91 4.32 4.32 2 34 0.65

Structural Alerts

There are 1 structural alerts for CHEMBL493632. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XZOULICPSKKNIM-PMUYMYJASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL493632



BindingDB 50261060
IBM Patent System 5DFD9BB1A8A0362126C6897B7976D248
PubChem 24878873
PubChem: Thomson Pharma 50134302
SureChEMBL SCHEMBL13324657
ZINC ZINC000038909999

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