
 CHEMBL2059319

 58 62  0  0  0  0  0  0  0  0999 V2000
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    0.1100   -1.2244    2.3399 C   0  0  0  0  0
    0.2263   -2.2735    1.7315 O   0  0  0  0  0
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    1.4550    2.0452   -0.6570 H   0  0  0  0  0
    0.5581    2.5253    0.7588 H   0  0  0  0  0
   -0.9444    2.1957   -1.0599 H   0  0  0  0  0
   -1.2954    0.9782    0.1699 H   0  0  0  0  0
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    0.6100   -1.6079   -1.8427 H   0  0  0  0  0
    2.0177   -1.5134    0.2126 H   0  0  0  0  0
    2.3577   -0.2436   -0.9392 H   0  0  0  0  0
    2.3597    0.7821    1.2137 H   0  0  0  0  0
    1.3050    2.7997    2.7482 H   0  0  0  0  0
    0.4129    3.8235    4.8175 H   0  0  0  0  0
   -1.0152    2.5216    6.3692 H   0  0  0  0  0
   -1.5628    0.1347    5.8762 H   0  0  0  0  0
   -1.0456   -1.8822    3.9972 H   0  0  0  0  0
   -2.2645   -0.6614   -1.3482 H   0  0  0  0  0
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  1  6  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
 10 11  2  0  0  0
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 27 28  2  0  0  0
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 30 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2059319

>  <PubChem CID>
62705504

>  <Formula>
C24H27FN4O2

>  <Molecular Weight>
422.504000

>  <IUPAC Name>
7-fluoro-1-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one

>  <XlogP>
3.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCN4C(=O)CCC5=C4C=C(C=C5)F

>  <Isomeric SMILES>
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCN4C(=O)CCC5=C4C=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C24H27FN4O2/c25-18-8-6-17-7-9-23(30)28(22(17)16-18)13-3-12-27-14-10-19(11-15-27)29-21-5-2-1-4-20(21)26-24(29)31/h1-2,4-6,8,16,19H,3,7,9-15H2,(H,26,31)

>  <InChI Key>
ABUDXXYFKLCSKO-UHFFFAOYSA-N

