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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15277
CHEMBL15277
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H25N7O5S3

Additional synonyms for CHEMBL15277 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCO\N=C(/C(=O)NC1C2SCC(=C(N2C1=O)C(=O)[O-])CN(C)c3scc(C)[n+] ...
Download SMILES
Standard InChI InChI=1S/C21H25N7O5S3/c1-5-33-25-13(12-9-35-20(22)23-12)16(2 ...
Download InChI
Standard InChI Key DLHGOXCFHAOGFW-MXAYSNPKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15277

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
551.7 551.1079 -0.8 9 157.16 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 2 2 12 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.67 1.78 -1.47 -.9 2 36 0.18

Structural Alerts

There are 15 structural alerts for CHEMBL15277. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DLHGOXCFHAOGFW-MXAYSNPKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15277



PubChem 44269912

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