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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1256767
CHEMBL1256767
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H14N6O10S2

Additional synonyms for CHEMBL1256767 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)OC[C@@H]1[C@H](NC(=O)\C(=N\OCC(=O)O)\c2csc(N)n2)C(=O)N ...
Download SMILES
Standard InChI InChI=1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20 ...
Download InChI
Standard InChI Key UIMOJFJSJSIGLV-PDWQJGMQSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1256767

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
466.4 466.0213 -2.88 9 253.9 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 5 1 16 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-.43 1.41 -1.19 -6.04 1 30 0.11

Structural Alerts

There are 18 structural alerts for CHEMBL1256767. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UIMOJFJSJSIGLV-PDWQJGMQSA-N
PubChem SID: 50112810
Wikipedia Carumonam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1256767



PubChem 6857983
PubChem: Thomson Pharma 15405406
ZINC ZINC000013831159

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