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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1720120
CHEMBL1720120
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H30N2O7S2

Additional synonyms for CHEMBL1720120 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc(CN(C)C(=O)C(CCSC)NS(=O)(=O)c2ccc3OCCOc3c2)c1OC
Standard InChI InChI=1S/C23H30N2O7S2/c1-25(15-16-6-5-7-20(29-2)22(16)30-3)2 ...
Download InChI
Standard InChI Key DMIPVWRLCBCILX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1720120

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
510.6 510.1494 2.53 11 103.4 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 1 9 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.44 - .21 .2 2 34 0.49

Structural Alerts

There are 2 structural alerts for CHEMBL1720120. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DMIPVWRLCBCILX-UHFFFAOYSA-N
PubChem SID: 56319790

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1720120



Mcule MCULE-9643547424
MolPort MolPort-005-721-975
PubChem 24980957

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