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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1623949
CHEMBL1623949
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H36N7O16P3S

Additional synonyms for CHEMBL1623949 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(=O ...
Download SMILES
Standard InChI InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23- ...
Download InChI
Standard InChI Key RGJOEKWQDUBAIZ-DRCCLKDXSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1623949

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
767.5 767.1152 -1.67 18 346.56 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
18 10 3 23 10 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.16 3.82 -4.36 -10.72 2 48 0.06

Structural Alerts

There are 17 structural alerts for CHEMBL1623949. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RGJOEKWQDUBAIZ-DRCCLKDXSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1623949



ACToR 153-46-8
EPA CompTox Dashboard DTXSID9048302
IBM Patent System FA6731585D692089B36895D58675DD51
KEGG Ligand C00010
MolPort MolPort-044-728-879
Nikkaji J264.889J
PubChem 6816
PubChem: Thomson Pharma 16298944
SureChEMBL SCHEMBL26752

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