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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1257962
CHEMBL1257962
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H30N6O2S

Additional synonyms for CHEMBL1257962 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)c1ccc2N(CCc2c1)C(=S)NN\C(=C/3\C(=NN(C3=O)c4ccc(C)c(C ...
Download SMILES
Standard InChI InChI=1S/C26H30N6O2S/c1-6-27-24(33)20-8-10-22-19(14-20)11-12 ...
Download InChI
Standard InChI Key PUEZQFVXWUGNLH-QJOMJCCJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1257962

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
490.6 490.2151 4.16 7 121.16 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.83 8.51 2.87 1.77 2 35 0.31

Structural Alerts

There are 12 structural alerts for CHEMBL1257962. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PUEZQFVXWUGNLH-QJOMJCCJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1257962



PubChem 52944429
ZINC ZINC000064528137

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