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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1209708
CHEMBL1209708
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H35N3O2

Additional synonyms for CHEMBL1209708 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N4C[C@@H](C)N(C)[C@@H](C)C4
Standard InChI InChI=1S/C24H35N3O2/c1-17-13-27(14-18(2)25(17)3)24(28)21-16- ...
Download InChI
Standard InChI Key DMYGECJTVMCGEP-HDICACEKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1209708

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
397.6 397.2729 4.39 4 37.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.74 4.7 4.2 2 29 0.77

Structural Alerts

There are no structural alerts for CHEMBL1209708

Compound Cross References

ChemSpider ChemSpider:DMYGECJTVMCGEP-HDICACEKSA-N
Wikipedia Org_28312

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1209708



BindingDB 50416472
PubChem 49862666
ZINC ZINC000013975397

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