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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL374940
CHEMBL374940
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H25N5O2

Additional synonyms for CHEMBL374940 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(=O)c1ccc2c(n[nH]c2c1)c3cc4cc(CN5CCOCC5)ccc4[nH]3
Standard InChI InChI=1S/C23H25N5O2/c1-27(2)23(29)16-4-5-18-20(12-16)25-26-2 ...
Download InChI
Standard InChI Key MXXHMCILDONGHI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL374940

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
403.5 403.2008 3.25 4 77.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.2 6.64 .49 .41 4 30 0.55

Structural Alerts

There are no structural alerts for CHEMBL374940

Compound Cross References

ChemSpider ChemSpider:MXXHMCILDONGHI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL374940



BindingDB 12120
IBM Patent System 942F270341624B4F2592544F77EF1BCD
SureChEMBL SCHEMBL5058860
ZINC ZINC000014949238

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