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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL20259
CHEMBL20259
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H44N4O7

Additional synonyms for CHEMBL20259 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)\C=C\[C@H](CCC(=O)NC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@ ...
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Standard InChI InChI=1S/C33H44N4O7/c1-5-43-30(39)19-17-26(16-18-29(38)34-4) ...
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Standard InChI Key LNWHKNGBDXOAAK-OEHSNOHSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL20259

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
608.7 608.321 3.19 17 151.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 1 11 4 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.13 - 5.44 5.44 2 44 0.16

Structural Alerts

There are 10 structural alerts for CHEMBL20259. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LNWHKNGBDXOAAK-OEHSNOHSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL20259



BindingDB 50065693
Nikkaji J1.014.348I
PubChem 6478223
PubChem: Thomson Pharma 15532888
ZINC ZINC000028228787

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