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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2031911
CHEMBL2031911
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H27FN4O5

Additional synonyms for CHEMBL2031911 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(Oc3ccc(NC(=O)C4=C(C5CCCO5)N(C)N(C4=O)c6ccccc6)cc3F ...
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Standard InChI InChI=1S/C31H27FN4O5/c1-35-29(27-9-6-16-40-27)28(31(38)36(35 ...
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Standard InChI Key QPYYLLKCTPKJEO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2031911

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
554.6 554.1965 5.77 7 96.61 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 2 9 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11 5.25 3.08 3.07 5 41 0.27

Structural Alerts

There are 1 structural alerts for CHEMBL2031911. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QPYYLLKCTPKJEO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2031911



BindingDB 50383173
IBM Patent System 8A946A25D10FCE0468C74A9BBEC2DD6F
PubChem 59598437
SureChEMBL SCHEMBL783468

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