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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL400847
CHEMBL400847
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H30N4O2

Additional synonyms for CHEMBL400847 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CCn1c(CN2C(=O)N(C(C)C)c3ccccc23)nc4c(CO)cccc14
Standard InChI InChI=1S/C24H30N4O2/c1-16(2)12-13-26-21-11-7-8-18(15-29)23(2 ...
Download InChI
Standard InChI Key ILKXCAVLGQOGLG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL400847

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
406.5 406.2369 4.32 7 64.98 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.3 4.07 4.06 4 30 0.5

Structural Alerts

There are no structural alerts for CHEMBL400847

Compound Cross References

ChemSpider ChemSpider:ILKXCAVLGQOGLG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL400847



IBM Patent System 537F7E83D12FA0511A1B5A4DEBE81368
PubChem 20813981
SureChEMBL SCHEMBL6247306
ZINC ZINC000028952140

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