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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1161430
CHEMBL1161430
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H40N2O4

Additional synonyms for CHEMBL1161430 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(O)cc(C)c1C[C@H](N)[C@@H](O)C\C=C\[C@H](O)[C@@H](Cc2ccc ...
Download SMILES
Standard InChI InChI=1S/C32H40N2O4/c1-22-18-26(35)19-23(2)27(22)21-29(33)31 ...
Download InChI
Standard InChI Key SVOIYZOGBVGZOD-JKROCSJBSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1161430

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
516.7 516.2988 3.76 13 115.81 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 5 1 6 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.26 8.57 3.79 1.8 3 38 0.22

Structural Alerts

There are 2 structural alerts for CHEMBL1161430. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SVOIYZOGBVGZOD-JKROCSJBSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1161430



PubChem 10941213
ZINC ZINC000027750208

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