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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL88520
CHEMBL88520
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H34N4O6

Additional synonyms for CHEMBL88520 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)CNC(=O)[C@@H]1Cc2ccc(OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1 ...
Download SMILES
Standard InChI InChI=1S/C23H34N4O6/c1-14(2)11-18-17(22(30)27-32)5-4-10-33-1 ...
Download InChI
Standard InChI Key HFAGTNGCAZYYLZ-OTWHNJEPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL88520

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
462.6 462.2478 0.53 6 145.86 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.19 - 2.07 2.06 1 33 0.31

Structural Alerts

There are 7 structural alerts for CHEMBL88520. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HFAGTNGCAZYYLZ-OTWHNJEPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL88520



BindingDB 50102594
Guide to Pharmacology 8629
IBM Patent System 300ABA41873B445A5F33AD4C74961218
Nikkaji J1.611.323I
PubChem 10344307
PubChem: Thomson Pharma 15355805
SureChEMBL SCHEMBL1844690
ZINC ZINC000013863588

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