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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2030075
CHEMBL2030075
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H31NO3

Additional synonyms for CHEMBL2030075 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)Oc1ccc(OCC2Cc3ccccc3CN2C(=O)c4cccc5ccccc45)cc1
Standard InChI InChI=1S/C31H31NO3/c1-31(2,3)35-27-17-15-26(16-18-27)34-21-2 ...
Download InChI
Standard InChI Key MOPAGKWBFUICQT-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2030075

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
465.6 465.2304 6.39 6 38.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 7.21 7.21 4 35 0.33

Structural Alerts

There are no structural alerts for CHEMBL2030075

Compound Cross References

ChemSpider ChemSpider:MOPAGKWBFUICQT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2030075



BindingDB 50383676
PubChem 60168097
PubChem: Thomson Pharma 144117183

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