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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL190124
CHEMBL190124
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H18N2

Additional synonyms for CHEMBL190124 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1CNC[C@H]2Cc3ccc(C)cc3N12
Standard InChI InChI=1S/C13H18N2/c1-9-3-4-11-6-12-8-14-7-10(2)15(12)13(11)5 ...
Download InChI
Standard InChI Key GSVJXYKZMGNFFX-ZYHUDNBSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL190124

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
202.3 202.147 1.72 0 15.27 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.47 1.21 -.13 1 15 0.69

Structural Alerts

There are no structural alerts for CHEMBL190124

Compound Cross References

ChemSpider ChemSpider:GSVJXYKZMGNFFX-ZYHUDNBSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL190124



BindingDB 50169263
IBM Patent System 3D66104A7DE59AA839EEE55C47AE8486
PubChem 20824945
SureChEMBL SCHEMBL5363125
ZINC ZINC000028469490

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