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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL284534
CHEMBL284534
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C43H49N3O9

Additional synonyms for CHEMBL284534 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(cc(OC)c1OCc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)CN ...
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Standard InChI InChI=1S/C43H49N3O9/c1-29(47)45-20-17-33(18-21-45)43(50)46(1 ...
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Standard InChI Key TVHPSMGZMVWCMG-ZPGRZCPFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL284534

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
751.9 751.3469 5.04 16 136.1 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 2 12 2 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.28 - 4.69 4.69 4 55 0.16

Structural Alerts

There are 1 structural alerts for CHEMBL284534. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TVHPSMGZMVWCMG-ZPGRZCPFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL284534



BindingDB 50076293
Brenda 51976
IBM Patent System F043B5EEB4D5685C1866A3DA0E4A0384
Nikkaji J1.081.902D
PubChem 10033021
PubChem: Thomson Pharma 15014592
ZINC ZINC000085534179

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