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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1619690
CHEMBL1619690
Compound Name METAMPICILLIN SODIUM
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H19N3O4S

Additional synonyms for CHEMBL1619690 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)SC2C(NC(=O)C(N=C)c3ccccc3)C(=O)N2C1C(=O)O
Standard InChI InChI=1S/C17H19N3O4S/c1-17(2)12(16(23)24)20-14(22)11(15(20)2 ...
Download InChI
Standard InChI Key FZECHKJQHUVANE-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1619690

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
361.4 361.1096 1.06 5 99.07 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.44 2.73 2.7 -1.02 1 25 0.6

Structural Alerts

There are 4 structural alerts for CHEMBL1619690. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FZECHKJQHUVANE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1619690



Mcule MCULE-6173692805
PubChem 4084
PubChem: Thomson Pharma 14901436
SureChEMBL SCHEMBL1650135

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