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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL252355
CHEMBL252355
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C51H68N10O10

Additional synonyms for CHEMBL252355 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C\C=C/C[C@H](NC(=O)[C@H](N) ...
Download SMILES
Standard InChI InChI=1S/C51H68N10O10/c1-30(63)43(29-62)60-47(67)39-22-12-11 ...
Download InChI
Standard InChI Key WXHDDLDHALOYBD-IOPUJYQWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL252355

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
981.2 980.512 -0.85 17 332.22 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 13 3 20 15 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.18 10.43 2.35 -.52 4 71 0.05

Structural Alerts

There are 3 structural alerts for CHEMBL252355. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WXHDDLDHALOYBD-IOPUJYQWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL252355



BindingDB 50232819
Nikkaji J2.749.052B
PubChem 44444935
ZINC ZINC000169713595

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