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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL144965
CHEMBL144965
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H34F2N4O5

Additional synonyms for CHEMBL144965 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)C1=C(C)NC(=O)N(C1c2ccc(F)c(F)c2)C(=O)NCCCN3CCC(CC3)(O ...
Download SMILES
Standard InChI InChI=1S/C29H34F2N4O5/c1-19-24(26(36)39-2)25(20-10-11-22(30) ...
Download InChI
Standard InChI Key FUAZJQZXKXKCSP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL144965

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
556.6 556.2497 2.94 9 100.21 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.6 8.2 3.38 2.64 2 40 0.36

Structural Alerts

There are 3 structural alerts for CHEMBL144965. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FUAZJQZXKXKCSP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL144965



BindingDB 50082829
Nikkaji J1.206.262A
PubChem 10626610
PubChem: Thomson Pharma 15657037

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