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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL357129
CHEMBL357129
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H15N3O

Additional synonyms for CHEMBL357129 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(Oc1ccccc1c2ccc[nH]2)C3=NCCN3
Standard InChI InChI=1S/C14H15N3O/c1-2-6-13(18-10-14-16-8-9-17-14)11(4-1)12 ...
Download InChI
Standard InChI Key QLXHLSBDLHEIEV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL357129

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
241.3 241.1215 2.06 4 49.41 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.83 1.96 .1 2 18 0.86

Structural Alerts

There are no structural alerts for CHEMBL357129

Compound Cross References

ChemSpider ChemSpider:QLXHLSBDLHEIEV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL357129



BindingDB 50421593
Nikkaji J1.693.297C
PubChem 44362195
ZINC ZINC000013437829

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