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(Q72484409)
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English
3-[[4-(4-Iodophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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chemical formula
C₁₈H₁₉IN₄
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canonical SMILES
Ic1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H19IN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
0 references
InChIKey
OOEUHRGMLFVKQO-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
158985-08-1
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PubChem CID
6603897
1 reference
matched by identifier from
InChIKey
InChIKey
OOEUHRGMLFVKQO-UHFFFAOYSA-N
ChEBI ID
92507
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H19IN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
DSSTox substance ID
DTXSID401356830
1 reference
matched by identifier from
InChIKey
InChIKey
OOEUHRGMLFVKQO-UHFFFAOYSA-N
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