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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL494618
CHEMBL494618
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H33FN2O3

Additional synonyms for CHEMBL494618 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/C30H33FN2O3/c1-17-28-26(12-9-23-8-7-20(16-32-23)19- ...
Download InChI
Standard InChI Key HPJHGSFVIMACKC-PSPIGHAGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL494618

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
488.6 488.2475 5.41 5 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 4.71 4.71 2 36 0.57

Structural Alerts

There are 1 structural alerts for CHEMBL494618. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HPJHGSFVIMACKC-PSPIGHAGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL494618



BindingDB 50261018
PubChem 24878872
PubChem: Thomson Pharma 50134301
SureChEMBL SCHEMBL8055776
ZINC ZINC000049881462

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