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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL251116
CHEMBL251116
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H38N4O3

Additional synonyms for CHEMBL251116 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)N4CCN(CC4)c5cccc(OCc ...
Download SMILES
Standard InChI InChI=1S/C32H38N4O3/c1-34-21-26(18-25-19-27-24(20-28(25)34)1 ...
Download InChI
Standard InChI Key FXCGZOIUXOVRMD-STROYTFGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL251116

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
526.7 526.2944 4.05 6 58.14 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 1 7 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.08 4.91 3.25 3 39 0.48

Structural Alerts

There are no structural alerts for CHEMBL251116

Compound Cross References

ChemSpider ChemSpider:FXCGZOIUXOVRMD-STROYTFGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL251116



BindingDB 50423353
PubChem 44441873
ZINC ZINC000028950324

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