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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2032030
CHEMBL2032030
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H31FN4O5

Additional synonyms for CHEMBL2032030 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(Oc3ccc(NC(=O)C4=C(C)N(CC(O)C(C)C)N(C4=O)c5ccccc5)c ...
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Standard InChI InChI=1S/C32H31FN4O5/c1-19(2)27(38)18-36-20(3)30(32(40)37(36 ...
Download InChI
Standard InChI Key YMFWEIKNDBLHIR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2032030

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
570.6 570.2278 5.7 9 107.61 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11 5.25 3.75 3.75 5 42 0.24

Structural Alerts

There are 1 structural alerts for CHEMBL2032030. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YMFWEIKNDBLHIR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2032030



BindingDB 50383196
IBM Patent System 4FBBBC94F7BA0A9705992FB9E69061A0
PubChem 59598391
SureChEMBL SCHEMBL198255

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