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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1257847
CHEMBL1257847
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H32N6O3S

Additional synonyms for CHEMBL1257847 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C(=C\1/C(=NN(C1=O)c2ccc(C)c(C)c2)C)\NNC(=S)N3CCc4cc(ccc34) ...
Download SMILES
Standard InChI InChI=1S/C28H32N6O3S/c1-17-5-7-23(15-18(17)2)34-27(36)25(20( ...
Download InChI
Standard InChI Key ZBCZFPJRXQRPGM-PLRJNAJWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1257847

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
532.7 532.2257 3.7 6 121.6 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 1 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.9 8.51 2.48 1.44 2 38 0.33

Structural Alerts

There are 12 structural alerts for CHEMBL1257847. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZBCZFPJRXQRPGM-PLRJNAJWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1257847



PubChem 52946464
ZINC ZINC000064548322

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