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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL384773
CHEMBL384773
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C39H39F3N4O5

Additional synonyms for CHEMBL384773 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1cccc(NC(=O)[C@H]2CCCN2C(=O)[C@@H]3CCCN3C(=O)CC(c4ccccc4)( ...
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Standard InChI InChI=1S/C37H38N4O3.C2HF3O2/c38-30-19-10-20-31(25-30)39-35(4 ...
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Standard InChI Key GHYJQAVZBFFLBM-VMXYRSAXSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL384773

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
586.7 586.2944 5.61 8 95.74 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 2 7 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.97 4.14 3.58 3.58 4 44 0.21

Structural Alerts

There are 6 structural alerts for CHEMBL384773. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GHYJQAVZBFFLBM-VMXYRSAXSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL384773



PubChem 16086042
PubChem: Thomson Pharma 24732019

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