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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1257604
CHEMBL1257604
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H25N5O3S

Additional synonyms for CHEMBL1257604 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)N4CCc5cc(ccc45)C ...
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Standard InChI InChI=1S/C25H25N5O3S/c1-14(26-27-25(34)29-11-10-18-12-19(24( ...
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Standard InChI Key VGABBPNDLHRNOQ-HMAPJEAMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1257604

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
475.6 475.1678 4.31 6 129.35 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.08 8.54 3.52 .99 2 34 0.32

Structural Alerts

There are 12 structural alerts for CHEMBL1257604. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VGABBPNDLHRNOQ-HMAPJEAMSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1257604



PubChem 52945059
ZINC ZINC000101366819

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