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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2425628
CHEMBL2425628
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H37N5O5S

Additional synonyms for CHEMBL2425628 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CS(=O)(=O)CCCOc1cccc2c1ccn2c3ccnc(N[C@@H]4CC[C@H](CC4)C(=O)N ...
Download SMILES
Standard InChI InChI=1S/C28H37N5O5S/c1-39(36,37)19-3-18-38-25-5-2-4-24-23(2 ...
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Standard InChI Key NXWXUDHOUKWAQU-MEMLXQNLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2425628

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
555.7 555.2515 3.19 9 126.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.41 1.21 1.21 3 39 0.39

Structural Alerts

There are 1 structural alerts for CHEMBL2425628. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NXWXUDHOUKWAQU-MEMLXQNLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2425628



BindingDB 50440018
IBM Patent System FDACD79C1E389B92E4AB2B877EE7FE25
PubChem: Thomson Pharma 163634618
SureChEMBL SCHEMBL6764529

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