inhibitor E18   Click here for help

GtoPdb Ligand ID: 11228

Compound class: Synthetic organic
Comment: E18 is reported as a novel inhibitor of the neutral amino acid transporter B0AT1 (SLC6A19) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 62.39
Molecular weight 256.07
XLogP 3.06
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccccc1Nc1nc2c(s1)cccc2
Isomeric SMILES COc1ccccc1Nc1nc2c(s1)cccc2
InChI InChI=1S/C14H12N2OS/c1-17-12-8-4-2-6-10(12)15-14-16-11-7-3-5-9-13(11)18-14/h2-9H,1H3,(H,15,16)
InChI Key OAXDBPDAUUFQFJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
Database Links Click here for help
CAS Registry No. 1843-22-7 (source: PubChem)
GtoPdb PubChem SID 434122288
PubChem CID 234669
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