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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1257724
CHEMBL1257724
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H27N5O3S

Additional synonyms for CHEMBL1257724 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C(=C\1/C(=NN(C1=O)c2ccc3CCCc3c2)C)\NNC(=S)N4CCCc5cc(ccc45) ...
Download SMILES
Standard InChI InChI=1S/C26H27N5O3S/c1-15(23-16(2)29-31(24(23)32)21-10-8-17 ...
Download InChI
Standard InChI Key NXQDHHINNZIVQT-HAHDFKILSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1257724

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
489.6 489.1835 3.7 4 97.27 ZWITTERION


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
4.07 8.55 4.01 1.48 2 35 0.34

Structural Alerts

There are 12 structural alerts for CHEMBL1257724. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NXQDHHINNZIVQT-HAHDFKILSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1257724



PubChem 52943152
ZINC ZINC000101366824

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