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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1272182
CHEMBL1272182
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H35N5O4S

Additional synonyms for CHEMBL1272182 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(C)C(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(CCN(C)C)S(=O)(=O)C)/c4c ...
Download SMILES
Standard InChI InChI=1S/C30H35N5O4S/c1-6-34(4)30(37)22-12-17-25-26(20-22)32 ...
Download InChI
Standard InChI Key DJQVUYJBUCHJDH-DQSJHHFOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1272182

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
561.7 561.241 4.04 10 102.06 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 9 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.27 8.59 2.14 .85 3 40 0.36

Structural Alerts

There are 5 structural alerts for CHEMBL1272182. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DJQVUYJBUCHJDH-DQSJHHFOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1272182



PubChem 49788289
PubChem: Thomson Pharma 103063275
SureChEMBL SCHEMBL2570449
ZINC ZINC000101372820

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