
 CHEMBL3416870

 44 48  0  0  0  0  0  0  0  0999 V2000
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   -2.6446   -0.8369    0.3419 C   0  0  0  0  0
   -3.1518    0.2267   -0.5213 N   0  0  0  0  0
   -2.3426    0.4537   -1.7188 C   0  0  0  0  0
   -0.8991    0.7808   -1.3431 C   0  0  0  0  0
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    1.0936    0.0705    0.0145 C   0  0  0  0  0
    1.9238   -0.9954   -0.2618 C   0  0  0  0  0
    1.1360   -2.1066   -0.8356 C   0  0  0  0  0
   -0.1549   -1.5246   -1.1379 O   0  0  0  0  0
    3.2704   -0.9041    0.0298 C   0  0  0  0  0
    3.7308    0.2878    0.5860 C   0  0  0  0  0
    2.8188    1.3140    0.8288 C   0  0  0  0  0
    1.4955    1.2340    0.5579 N   0  0  0  0  0
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   -4.3840    1.0749    1.2148 O   0  0  0  0  0
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   -5.5937    3.2265   -2.5710 N   0  0  0  0  0
   -5.6465    4.1131   -1.5226 C   0  0  0  0  0
   -5.0938    3.4688   -0.4144 C   0  0  0  0  0
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   -5.5673    5.4656    0.8931 C   0  0  0  0  0
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   -5.5450    5.9880    1.8454 H   0  0  0  0  0
   -6.5748    5.8992   -2.3440 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3416870

>  <PubChem CID>
24997177

>  <Formula>
C20H18ClN3O2

>  <Molecular Weight>
367.833000

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

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC12C3=C(CO2)C=CC=N3)C(=O)C4=CNC5=C4C=CC(=C5)Cl

>  <Isomeric SMILES>
C1CN(CCC12C3=C(CO2)C=CC=N3)C(=O)C4=CNC5=C4C=CC(=C5)Cl

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

>  <InChI Key>
LWINSKSAAQRWTC-UHFFFAOYSA-N

