ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL135429
CHEMBL135429
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H44N4O4S

Additional synonyms for CHEMBL135429 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CN([C@H](CO)CCCCNC(=O)CN(Cc1cccc(N)c1)c2ccccc2)S(=O)(=O ...
Download SMILES
Standard InChI InChI=1S/C32H44N4O4S/c1-25(2)21-36(41(39,40)31-17-15-26(3)16 ...
Download InChI
Standard InChI Key UWEBUXQKMPHDIG-PMERELPUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL135429

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
580.8 580.3083 4.58 16 115.97 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 1 8 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.4 5.41 5.41 3 41 0.17

Structural Alerts

There are 6 structural alerts for CHEMBL135429. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UWEBUXQKMPHDIG-PMERELPUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL135429



BindingDB 9805
PubChem 513432
ZINC ZINC000014946736

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