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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2031903
CHEMBL2031903
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H24FN5O4

Additional synonyms for CHEMBL2031903 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(Oc3ccc(NC(=O)C4=C(CN)N(C)N(C4=O)c5ccccc5)cc3F)ccnc ...
Download SMILES
Standard InChI InChI=1S/C28H24FN5O4/c1-33-23(16-30)26(28(36)34(33)18-6-4-3- ...
Download InChI
Standard InChI Key RYQBKVFFHMNFTM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2031903

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
513.5 513.1812 4.38 7 113.4 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 1 9 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11 10.97 2.19 -.8 5 38 0.33

Structural Alerts

There are 1 structural alerts for CHEMBL2031903. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RYQBKVFFHMNFTM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2031903



BindingDB 50383181
IBM Patent System 6E7093291C8DF57E3E679DA0B3D7FA9A
PubChem 11963258
PubChem: Thomson Pharma 17421812
SureChEMBL SCHEMBL199435
ZINC ZINC000084652126

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