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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL496044
CHEMBL496044
Compound Name CEPHARANOLINE
ChEMBL Synonyms Cepharanoline
Max Phase 0
Trade Names
Molecular Formula C36H36N2O6

Additional synonyms for CHEMBL496044 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@@H]6N(C)CCc7cc8OCO ...
Download SMILES
Standard InChI InChI=1S/C36H36N2O6/c1-37-12-10-23-17-31(40-3)32-19-26(23)27 ...
Download InChI
Standard InChI Key VQAWRQZAAIQXHM-IZLXSDGUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL496044

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
592.7 592.2573 6.57 1 72.86 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 2 8 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.43 7.64 6.39 5.74 4 44 0.27

Structural Alerts

There are no structural alerts for CHEMBL496044

Compound Cross References

ChemSpider ChemSpider:VQAWRQZAAIQXHM-IZLXSDGUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL496044



Nikkaji J533.630I
PubChem 5315779
ZINC ZINC000049888703

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