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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2110297
CHEMBL2110297
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C43H66N14O11S2

Additional synonyms for CHEMBL2110297 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)[C@H]1NC(=O)[C@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@@H](N ...
Download SMILES
Standard InChI InChI=1S/C43H66N14O11S2/c1-4-23(2)35-39(66)52-27(11-12-30(44 ...
Download InChI
Standard InChI Key LWXMEDXFGOLDEE-CBTNKBIDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2110297

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
1019.2 1018.4477 - - - -


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 CHEMBL2110297

Compound Cross References

ChemSpider ChemSpider:LWXMEDXFGOLDEE-CBTNKBIDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2110297



BindingDB 50403724
PubChem 70693566

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