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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2031912
CHEMBL2031912
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H27FN4O5

Additional synonyms for CHEMBL2031912 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(Oc3ccc(NC(=O)C4=C(C5CCOC5)N(C)N(C4=O)c6ccccc6)cc3F ...
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Standard InChI InChI=1S/C31H27FN4O5/c1-35-29(19-13-15-40-18-19)28(31(38)36( ...
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Standard InChI Key LDXRJMINDNMMRX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2031912

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 5.42 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 2.79 2.79 5 41 0.29

Structural Alerts

There are 1 structural alerts for CHEMBL2031912. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LDXRJMINDNMMRX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2031912



BindingDB 50383172
IBM Patent System BC415307FED0F9C53F90CC9EAA95B769
PubChem 59598456
SureChEMBL SCHEMBL783369

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