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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3233885
CHEMBL3233885
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H29NO3

Additional synonyms for CHEMBL3233885 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C[C@@H]1CC[C@H](CC1)c2ccc(cc2)c3ccc4c(cccc4c3)C(=O)Nc5 ...
Download SMILES
Standard InChI InChI=1S/C31H29NO3/c33-30(34)19-21-9-11-22(12-10-21)23-13-15 ...
Download InChI
Standard InChI Key XVUFVZWOVPVTGF-HZCBDIJESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3233885

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
463.6 463.2147 7.51 6 66.4 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 4 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.72 .46 6.67 4.03 4 35 0.31

Structural Alerts

There are no structural alerts for CHEMBL3233885

Compound Cross References

ChemSpider ChemSpider:XVUFVZWOVPVTGF-HZCBDIJESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3233885



BindingDB 50009439
SureChEMBL SCHEMBL407125

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