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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL200370
CHEMBL200370
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H23ClN8O3

Additional synonyms for CHEMBL200370 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)c3cnn(Cc4onc(n4)c5ccccc5Cl)c ...
Download SMILES
Standard InChI InChI=1S/C23H23ClN8O3/c1-3-9-31-21-18(22(33)32(10-4-2)23(31) ...
Download InChI
Standard InChI Key MPKZAVFMYJALAY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL200370

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
494.9 494.1582 3.32 8 129.42 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 1 0 11 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.45 .26 2.48 2.21 5 35 0.35

Structural Alerts

There are no structural alerts for CHEMBL200370

Compound Cross References

ChemSpider ChemSpider:MPKZAVFMYJALAY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL200370



BindingDB 50176769
PubChem 44406545
ZINC ZINC000028563828

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