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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL152145
CHEMBL152145
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H26N6O2

Additional synonyms for CHEMBL152145 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCn1nc(CC)c(C(=O)O)c1Cc2ccc(cc2)c3ccccc3c4nn[nH]n4
Standard InChI InChI=1S/C24H26N6O2/c1-3-5-14-30-21(22(24(31)32)20(4-2)27-30 ...
Download InChI
Standard InChI Key MUEXBRNBVBMUAH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL152145

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 4.38 9 109.58 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 3.34 5.68 1.55 4 32 0.41

Structural Alerts

There are no structural alerts for CHEMBL152145

Compound Cross References

ChemSpider ChemSpider:MUEXBRNBVBMUAH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL152145



IBM Patent System 6AD1D6999034074421ECD46E449A4328
PubChem 9824008
PubChem: Thomson Pharma 14783101
SureChEMBL SCHEMBL9057804
ZINC ZINC000013760992

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