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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL348705
CHEMBL348705
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H24N6O2

Additional synonyms for CHEMBL348705 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCn1nc(Cc2ccc(cc2)c3ccccc3c4nn[nH]n4)c(C(=O)O)c1C
Standard InChI InChI=1S/C23H24N6O2/c1-3-4-13-29-15(2)21(23(30)31)20(26-29)1 ...
Download InChI
Standard InChI Key LSFJDFKWFYMGMX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL348705

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
416.5 416.1961 4.13 8 109.58 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.25 3.27 5.17 1.03 4 31 0.45

Structural Alerts

There are no structural alerts for CHEMBL348705

Compound Cross References

ChemSpider ChemSpider:LSFJDFKWFYMGMX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL348705



PubChem 10645564
PubChem: Thomson Pharma 15677157
ZINC ZINC000013760999

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