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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2448441
CHEMBL2448441
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C37H51BBrN5O6S

Additional synonyms for CHEMBL2448441 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Br.CC1(C)C2C[C@H]3OB(O[C@@]3(C)C1C2)C(CCC\C(=N\N)\S)NC(=O)[C ...
Download SMILES
Standard InChI InChI=1S/C37H50BN5O6S.BrH/c1-36(2)26-21-29(36)37(3)30(22-26) ...
Download InChI
Standard InChI Key UAQQNLPTVQXSEN-OIAZJYILSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2448441

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
703.7 703.3575 - - - -


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 CHEMBL2448441

Compound Cross References

ChemSpider ChemSpider:UAQQNLPTVQXSEN-OIAZJYILSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2448441



BindingDB 50034582
PubChem 73355715

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