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(Q107235381)
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English
PTI-3
chemical compound
N-({2-[1-(5-fluoropentyl)-1H-indol-3-yl]-1,3-thiazol-4-yl}methyl)-2-methoxy-N-methylethanamine
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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chemical structure
PTI-3 structure.png
815 × 791; 25 KB
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mass
389.19371173600007
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₈FN₃OS
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canonical SMILES
COCCN(C)Cc1csc(n1)c1cn(CCCCCF)c2ccccc21
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Identifiers
InChI
InChI=1S/C21H28FN3OS/c1-24(12-13-26-2)14-17-16-27-21(23-17)19-15-25(11-7-3-6-10-22)20-9-5-4-8-18(19)20/h4-5,8-9,15-16H,3,6-7,10-14H2,1-2H3
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InChIKey
LXQIIHJBHSFWQW-UHFFFAOYSA-N
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ChemSpider ID
79413292
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PubChem CID
162623756
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DSSTox substance ID
DTXSID701336887
1 reference
matched by identifier from
InChIKey
InChIKey
LXQIIHJBHSFWQW-UHFFFAOYSA-N
UNII
BE9L8378LU
1 reference
matched by identifier from
InChIKey
InChIKey
LXQIIHJBHSFWQW-UHFFFAOYSA-N
Probes And Drugs ID
PD071019
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PTI-3
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