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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1272128
CHEMBL1272128
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H33N5O4S

Additional synonyms for CHEMBL1272128 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(CCN(C)C)S(=O)(=O)C)/c4cccc ...
Download SMILES
Standard InChI InChI=1S/C29H33N5O4S/c1-5-30-28(35)21-11-16-24-25(19-21)32-2 ...
Download InChI
Standard InChI Key IMPLASSOUGGFTO-RQZHXJHFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1272128

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
547.7 547.2253 3.7 10 110.85 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 1 9 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.26 8.59 2.17 .88 3 39 0.33

Structural Alerts

There are 5 structural alerts for CHEMBL1272128. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IMPLASSOUGGFTO-RQZHXJHFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1272128



PubChem 11497636
PubChem: Thomson Pharma 16599513
SureChEMBL SCHEMBL2571337
ZINC ZINC000101372813

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