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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL209992
CHEMBL209992
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H20N8O2

Additional synonyms for CHEMBL209992 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCn1cc2C3N=C(NN3C(=Nc2n1)NC(=O)Nc4ccc(C)cc4)c5occc5
Standard InChI InChI=1S/C20H20N8O2/c1-3-27-11-14-16(25-27)23-19(24-20(29)21 ...
Download InChI
Standard InChI Key KLUKJFHFYARTGV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL209992

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
404.4 404.1709 2.89 3 112.08 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 10 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.13 9.06 2.65 1.68 3 30 0.62

Structural Alerts

There are 1 structural alerts for CHEMBL209992. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KLUKJFHFYARTGV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL209992



BindingDB 50190441
PubChem 44413359

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