
 CHEMBL3416872

 44 48  0  0  0  0  0  0  0  0999 V2000
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   -2.5115   -0.6349    1.0845 C   0  0  0  0  0
   -3.2953   -0.0728   -0.0108 N   0  0  0  0  0
   -2.7770   -0.4225   -1.3330 C   0  0  0  0  0
   -1.3489    0.1008   -1.4881 C   0  0  0  0  0
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    0.9364    0.1697   -0.4361 C   0  0  0  0  0
    1.8536   -0.8590   -0.4685 C   0  0  0  0  0
    1.1382   -2.1640   -0.3863 C   0  0  0  0  0
   -0.2675   -1.8254   -0.4990 O   0  0  0  0  0
    3.1883   -0.7044   -0.5369 N   0  0  0  0  0
    3.6131    0.5794   -0.5816 C   0  0  0  0  0
    2.7653    1.6853   -0.5544 C   0  0  0  0  0
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   -3.9282    1.6753    1.3336 O   0  0  0  0  0
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   -5.6750    0.9016   -1.6877 C   0  0  0  0  0
   -6.3962    1.7767   -2.4541 N   0  0  0  0  0
   -6.1660    3.0687   -2.0455 C   0  0  0  0  0
   -5.2473    3.0081   -0.9954 C   0  0  0  0  0
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   -5.0909    6.3550   -0.3387 H   0  0  0  0  0
   -7.4258    4.2938   -3.3253 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3416872

>  <PubChem CID>
25001616

>  <Formula>
C20H18ClN3O2

>  <Molecular Weight>
367.833000

>  <IUPAC Name>
(6-chloro-1H-indol-3-yl)-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

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

>  <InChI Key>
IPIIGNYKOUWWDJ-UHFFFAOYSA-N

