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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL51019
CHEMBL51019
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H32F2N4O6

Additional synonyms for CHEMBL51019 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)C1(CCN(CCCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c4ccc(F)c(F)c4 ...
Download SMILES
Standard InChI InChI=1S/C30H32F2N4O6/c1-41-27(38)30(20-7-3-2-4-8-20)11-15-3 ...
Download InChI
Standard InChI Key MMQFQBJKZBLBRZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL51019

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
582.6 582.229 3.54 8 117.28 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.2 8.37 1.53 .58 2 42 0.36

Structural Alerts

There are 3 structural alerts for CHEMBL51019. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MMQFQBJKZBLBRZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL51019



BindingDB 50085001
Nikkaji J1.232.660B
PubChem 44295218

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