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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL375596
CHEMBL375596
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H23N3O

Additional synonyms for CHEMBL375596 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c3ccccn3)c1
Standard InChI InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8- ...
Download InChI
Standard InChI Key JFCDMGGMCUKHST-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL375596

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
309.4 309.1841 2.71 4 45.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.07 3.1 3.07 2 23 0.94

Structural Alerts

There are no structural alerts for CHEMBL375596

Compound Cross References

ChemSpider ChemSpider:JFCDMGGMCUKHST-UHFFFAOYSA-N
Wikipedia A-412,997

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL375596



BindingDB 50200037
EPA CompTox Dashboard DTXSID70212234
FDA SRS RWL9H93ARB
Guide to Pharmacology 3301
IBM Patent System C6BD48CA6513187609910141DF71FF05
PubChem 10425450
PubChem: Thomson Pharma 15444520
SureChEMBL SCHEMBL4010266
ZINC ZINC000013984603

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