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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3234583
CHEMBL3234583
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H31F3N6O4

Additional synonyms for CHEMBL3234583 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)Cc1ccc(OC2CCN(CC2)c3cc(nc(n3)C(F)(F)F)N4CC[C@H]4C(=O)N ...
Download SMILES
Standard InChI InChI=1S/C31H31F3N6O4/c32-31(33,34)30-37-26(39-14-10-24(11-1 ...
Download InChI
Standard InChI Key SEJKRPRNVCOMDV-VWLOTQADSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3234583

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
608.6 608.2359 4.63 11 131.68 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 1 10 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.42 6.56 4.12 1.3 3 44 0.32

Structural Alerts

There are no structural alerts for CHEMBL3234583

Compound Cross References

ChemSpider ChemSpider:SEJKRPRNVCOMDV-VWLOTQADSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3234583



BindingDB 50003568
PubChem 90654596
ZINC ZINC000169310258

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