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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3235280
CHEMBL3235280
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C32H41N9O2S

Additional synonyms for CHEMBL3235280 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCN1CCN(CC1)C(=O)CCc2cccc(CSc3nc(N)c(C#N)c(n3)c4ccc(N ...
Download SMILES
Standard InChI InChI=1S/C32H41N9O2S/c1-4-39(5-2)15-16-40-17-19-41(20-18-40) ...
Download InChI
Standard InChI Key DMDJTLNTJHFQMG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3235280

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
615.8 615.3104 3.66 13 144.37 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 2 1 11 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.33 2.74 .02 3 44 0.22

Structural Alerts

There are 1 structural alerts for CHEMBL3235280. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DMDJTLNTJHFQMG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3235280



BindingDB 50003647
IBM Patent System BB1948B43F144B9832B22505862F8CFE
PubChem 11527363
PubChem: Thomson Pharma 16629256
SureChEMBL SCHEMBL947166
ZINC ZINC000114898545

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