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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2032031
CHEMBL2032031
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H28FN5O5

Additional synonyms for CHEMBL2032031 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(Oc3ccc(NC(=O)C4=C(C)N(CC(O)CN)N(C4=O)c5ccccc5)cc3F ...
Download SMILES
Standard InChI InChI=1S/C30H28FN5O5/c1-18-28(30(39)36(20-6-4-3-5-7-20)35(18 ...
Download InChI
Standard InChI Key NXVHOYBQFPQTBF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2032031

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
557.6 557.2074 4.01 9 133.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 3 1 10 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11 8.44 1.94 .46 5 41 0.25

Structural Alerts

There are 1 structural alerts for CHEMBL2032031. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NXVHOYBQFPQTBF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2032031



BindingDB 50383195
IBM Patent System 452A2909FF2221C3B6CA00FBAD54F3F5
PubChem 11962977
PubChem: Thomson Pharma 17421526
SureChEMBL SCHEMBL198260

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