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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL150608
CHEMBL150608
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H27N3O3

Additional synonyms for CHEMBL150608 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCn1nc(C(C)C)c(C(=O)N)c1Cc2ccc(cc2)c3ccccc3C(=O)O
Standard InChI InChI=1S/C24H27N3O3/c1-4-13-27-20(21(23(25)28)22(26-27)15(2) ...
Download InChI
Standard InChI Key QLXIXKKEOFCMCV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL150608

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
405.5 405.2052 4.47 8 98.21 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.87 .92 2.16 -.84 3 30 0.58

Structural Alerts

There are no structural alerts for CHEMBL150608

Compound Cross References

ChemSpider ChemSpider:QLXIXKKEOFCMCV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL150608



PubChem 44367877
ZINC ZINC000027628044

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