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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL523854
CHEMBL523854
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H34FN3O3

Additional synonyms for CHEMBL523854 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@@H]([C@@H](C)O ...
Download SMILES
Standard InChI InChI=1S/C29H34FN3O3/c1-3-31-29(35)33-23-10-11-24-20(14-23)1 ...
Download InChI
Standard InChI Key IQTIQAPIFLPGHQ-QHNZEKIYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL523854

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
491.6 491.2584 5.2 5 80.32 NEUTRAL


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
- 3.91 4.87 4.87 2 36 0.56

Structural Alerts

There are 1 structural alerts for CHEMBL523854. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IQTIQAPIFLPGHQ-QHNZEKIYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL523854



PubChem 24878875
PubChem: Thomson Pharma 50134304
ZINC ZINC000042890303

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