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(Q82559716)
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English
6-[4-(1-{[6-(Trifluoromethyl)pyridin-3-yl]methyl}piperidin-4-yl)piperazin-1-yl]-7H-purine
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
446.2154274600002
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₅F₃N₈
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canonical SMILES
C1CN(CCC1N2CCN(CC2)C3=NC=NC4=C3NC=N4)CC5=CN=C(C=C5)C(F)(F)F
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Identifiers
InChI
InChI=1S/C21H25F3N8/c22-21(23,24)17-2-1-15(11-25-17)12-30-5-3-16(4-6-30)31-7-9-32(10-8-31)20-18-19(27-13-26-18)28-14-29-20/h1-2,11,13-14,16H,3-10,12H2,(H,26,27,28,29)
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InChIKey
YMDZFUCMCHPWQR-UHFFFAOYSA-N
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CAS Registry Number
909670-78-6
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PubChem CID
24736948
1 reference
matched by identifier from
InChIKey
InChIKey
YMDZFUCMCHPWQR-UHFFFAOYSA-N
UniChem compound ID
23665302
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00647116
1 reference
matched by identifier from
InChIKey
InChIKey
YMDZFUCMCHPWQR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80597867
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