
 CHEMBL3416861

 45 49  0  0  0  0  0  0  0  0999 V2000
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   -2.7181   -0.4367    1.0665 C   0  0  0  0  0
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    3.5710    0.6001   -0.3248 C   0  0  0  0  0
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    0.9024   -2.1202   -0.1717 C   0  0  0  0  0
   -0.4623   -1.7118   -0.4225 O   0  0  0  0  0
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   -4.0815    1.9211    1.2479 O   0  0  0  0  0
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   -6.1852    3.2903   -2.2345 C   0  0  0  0  0
   -5.3007    3.2400   -1.1551 C   0  0  0  0  0
   -4.9007    4.4566   -0.5596 C   0  0  0  0  0
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   -7.3733    4.5060   -3.5895 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3416861

>  <PubChem CID>
15951937

>  <Formula>
C21H19ClN2O2

>  <Molecular Weight>
366.845000

>  <IUPAC Name>
(6-chloro-1H-indol-3-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC12C3=CC=CC=C3CO2)C(=O)C4=CNC5=C4C=CC(=C5)Cl

>  <Isomeric SMILES>
C1CN(CCC12C3=CC=CC=C3CO2)C(=O)C4=CNC5=C4C=CC(=C5)Cl

>  <InChI Std. ID>
InChI=1S/C21H19ClN2O2/c22-15-5-6-16-17(12-23-19(16)11-15)20(25)24-9-7-21(8-10-24)18-4-2-1-3-14(18)13-26-21/h1-6,11-12,23H,7-10,13H2

>  <InChI Key>
FPWHCHLKTSMBLA-UHFFFAOYSA-N

