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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2042304
CHEMBL2042304
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H27FN6O4

Additional synonyms for CHEMBL2042304 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NCC(c4ccccc4)c ...
Download SMILES
Standard InChI InChI=1S/C26H27FN6O4/c1-2-28-24(36)21-19(34)20(35)25(37-21)3 ...
Download InChI
Standard InChI Key QIMAEJZEQKSMHZ-UGCAPWQASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2042304

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
506.5 506.2078 1.96 8 134.42 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.87 .53 4.88 4.88 4 37 0.27

Structural Alerts

There are 1 structural alerts for CHEMBL2042304. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QIMAEJZEQKSMHZ-UGCAPWQASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2042304



BindingDB 50385948
PubChem 57387594
PubChem: Thomson Pharma 136917618
ZINC ZINC000084708382

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