
 CHEMBL3416871

 44 48  0  0  0  0  0  0  0  0999 V2000
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   -2.5531   -0.5656    1.1208 C   0  0  0  0  0
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   -0.3826   -1.7570   -0.5494 O   0  0  0  0  0
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    2.7833    1.6446   -0.4483 N   0  0  0  0  0
    1.4529    1.4178   -0.3660 C   0  0  0  0  0
   -4.0229    1.2568    0.4059 C   0  0  0  0  0
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   -6.1210    3.3992   -1.7743 C   0  0  0  0  0
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   -4.9666    6.5650    0.1005 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3416871

>  <PubChem CID>
25001929

>  <Formula>
C20H18ClN3O2

>  <Molecular Weight>
367.833000

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

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC12C3=C(CO2)C=CN=C3)C(=O)C4=CNC5=C4C=CC(=C5)Cl

>  <Isomeric SMILES>
C1CN(CCC12C3=C(CO2)C=CN=C3)C(=O)C4=CNC5=C4C=CC(=C5)Cl

>  <InChI Std. ID>
InChI=1S/C20H18ClN3O2/c21-14-1-2-15-16(10-23-18(15)9-14)19(25)24-7-4-20(5-8-24)17-11-22-6-3-13(17)12-26-20/h1-3,6,9-11,23H,4-5,7-8,12H2

>  <InChI Key>
RMKRYUKAFCDHJF-UHFFFAOYSA-N

