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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2023845
CHEMBL2023845
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C84H130N32O14S

Additional synonyms for CHEMBL2023845 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C1C=CC2=C(c3ccc(cc3OC2=C1)N(C)C)c4ccc(cc4C(=O)N[C@H](CC ...
Download SMILES
Standard InChI InChI=1S/C84H130N32O14S/c1-115(2)51-28-31-55-65(46-51)130-66 ...
Download InChI
Standard InChI Key UIWMVSPVUCYEJT-BCUHWZKVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2023845

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
1844.2 1843.0165 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL2023845

Compound Cross References

ChemSpider ChemSpider:UIWMVSPVUCYEJT-BCUHWZKVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2023845



BindingDB 50382217
PubChem 91929831 70687792

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