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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1322719
CHEMBL1322719
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H23N3O6S

Additional synonyms for CHEMBL1322719 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(= ...
Download SMILES
Standard InChI InChI=1S/C24H23N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13( ...
Download InChI
Standard InChI Key SOROUYSPFADXSN-DLFUNHFGSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1322719

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
481.5 481.1308 1.65 5 128.03 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.15 6.81 3.62 3.54 2 34 0.49

Structural Alerts

There are 6 structural alerts for CHEMBL1322719. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SOROUYSPFADXSN-DLFUNHFGSA-N
PubChem SID: 11112758
Wikipedia Talampicillin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1322719



PubChem 6604402
ZINC ZINC000036386993

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