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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2323629
CHEMBL2323629
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H27N5O3

Additional synonyms for CHEMBL2323629 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)n1ncc2CC3(CCN(CC3)C(=O)c4ccc5[nH]c(cc5c4)C(=O)N)CC(=O)c ...
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Standard InChI InChI=1S/C24H27N5O3/c1-14(2)29-21-17(13-26-29)11-24(12-20(21 ...
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Standard InChI Key SZNSJIYQPCHDKK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2323629

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
433.5 433.2114 3.1 3 114.08 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .69 .25 .25 3 32 0.66

Structural Alerts

There are 1 structural alerts for CHEMBL2323629. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SZNSJIYQPCHDKK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2323629



BindingDB 50426524
PubChem 70675044
PubChem: Thomson Pharma 160640078
SureChEMBL SCHEMBL13387111
ZINC ZINC000095584880

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