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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2037211
CHEMBL2037211
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H29F3N6O2

Additional synonyms for CHEMBL2037211 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(CC1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(Nc4ccc5\C(=C\c6c ...
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Standard InChI InChI=1S/C32H29F3N6O2/c1-40-10-12-41(13-11-40)26-15-20(14-21 ...
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Standard InChI Key JECVRFZSSMBKTJ-VEILYXNESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2037211

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
586.6 586.2304 6.27 6 92.5 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 2 8 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.74 7.63 4.18 3.75 4 43 0.2

Structural Alerts

There are 3 structural alerts for CHEMBL2037211. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JECVRFZSSMBKTJ-VEILYXNESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2037211



BindingDB 50384734
PubChem 59804319
SureChEMBL SCHEMBL397888
ZINC ZINC000084714716

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