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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL284918
CHEMBL284918
Compound Name
ChEMBL Synonyms KRH-594
Max Phase 0
Trade Names
Molecular Formula C25H23N7O3S

Additional synonyms for CHEMBL284918 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1=NN(Cc2ccc(cc2)c3ccccc3c4nn[nH]n4)\C(=N\C(=O)C5=C(CCC5)C ...
Download SMILES
Standard InChI InChI=1S/C25H23N7O3S/c1-2-21-29-32(25(36-21)26-23(33)19-8-5- ...
Download InChI
Standard InChI Key UFZKNCXXIFQTNB-QPLCGJKRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL284918

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
501.6 501.1583 3.39 7 139.01 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 1 10 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.24 .6 5.08 .62 4 36 0.4

Structural Alerts

There are 1 structural alerts for CHEMBL284918. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UFZKNCXXIFQTNB-QPLCGJKRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL284918



Nikkaji J1.614.585H
PubChem: Thomson Pharma 14786542
SureChEMBL SCHEMBL4057435
ZINC ZINC000001891053

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