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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2431212
CHEMBL2431212
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H15N3O

Additional synonyms for CHEMBL2431212 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2
Standard InChI InChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-1 ...
Download InChI
Standard InChI Key STAFRSGTRKNXHF-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2431212

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
265.3 265.1215 2.01 2 54.88 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.29 3.31 2.68 2.68 2 20 0.85

Structural Alerts

There are 1 structural alerts for CHEMBL2431212. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:STAFRSGTRKNXHF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2431212



BindingDB 50441230
Guide to Pharmacology 6394
MolPort MolPort-035-765-987
Nikkaji J3.251.087F
PubChem 72551298
SureChEMBL SCHEMBL15539722
ZINC ZINC000095642812

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