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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3236271
CHEMBL3236271
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H29N3O2

Additional synonyms for CHEMBL3236271 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [11CH3]Nc1ccc(CCCC(=O)N2CCC[C@H]2C(=O)N3CCCC3)cc1
Standard InChI InChI=1S/C20H29N3O2/c1-21-17-11-9-16(10-12-17)6-4-8-19(24)23 ...
Download InChI
Standard InChI Key VPEGDNXHMCYFIU-JSAIGSKTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3236271

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
343.5 343.226 2.66 6 52.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.2 1.85 1.84 1 25 0.86

Structural Alerts

There are no structural alerts for CHEMBL3236271

Compound Cross References

ChemSpider ChemSpider:VPEGDNXHMCYFIU-JSAIGSKTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3236271



BindingDB 50005870
PubChem 15227879

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