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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL219246
CHEMBL219246
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H13ClN4

Additional synonyms for CHEMBL219246 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(nn1)N2CC[C@H]3CN[C@H]3C2
Standard InChI InChI=1S/C10H13ClN4/c11-9-1-2-10(14-13-9)15-4-3-7-5-12-8(7)6 ...
Download InChI
Standard InChI Key SCEWNIGESQCCGF-YUMQZZPRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL219246

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
224.7 224.0829 0.93 1 41.05 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.32 .94 -1.44 1 15 0.77

Structural Alerts

There are 2 structural alerts for CHEMBL219246. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SCEWNIGESQCCGF-YUMQZZPRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL219246



BindingDB 50201071
PubChem 16099085
PubChem: Thomson Pharma 24745689
ZINC ZINC000035080272

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