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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL493792
CHEMBL493792
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H33FN2O3

Additional synonyms for CHEMBL493792 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@@H]([C@@H](C)OC ...
Download SMILES
Standard InChI InChI=1S/C29H33FN2O3/c1-3-27(33)32-23-10-11-24-20(14-23)15-2 ...
Download InChI
Standard InChI Key VRCMAKRPCCOWOA-IVPXSCQRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL493792

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
476.6 476.2475 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 4.83 4.83 2 35 0.59

Structural Alerts

There are 1 structural alerts for CHEMBL493792. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VRCMAKRPCCOWOA-IVPXSCQRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL493792



BindingDB 50261017
PubChem 24878871
PubChem: Thomson Pharma 50134300
ZINC ZINC000049881722

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