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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL153013
CHEMBL153013
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H26N6O2

Additional synonyms for CHEMBL153013 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCn1nc(C(C)C)c(C(=O)O)c1Cc2ccc(cc2)c3ccccc3c4nn[nH]n4
Standard InChI InChI=1S/C24H26N6O2/c1-4-13-30-20(21(24(31)32)22(27-30)15(2) ...
Download InChI
Standard InChI Key FOVKKLYIXHRZPA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL153013

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
430.5 430.2117 4.55 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
4.26 3.26 5.49 1.35 4 32 0.42

Structural Alerts

There are no structural alerts for CHEMBL153013

Compound Cross References

ChemSpider ChemSpider:FOVKKLYIXHRZPA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL153013



IBM Patent System A4034D28E80E46DD9A09F7E4856FC0BB
Nikkaji J1.305.370G
PubChem 9802759
PubChem: Thomson Pharma 14758787
SureChEMBL SCHEMBL4128979
ZINC ZINC000001488298

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