
 CHEMBL304486

 59 62  0  0  0  0  0  0  0  0999 V2000
    0.3815    1.6243    0.0282 C   0  0  0  0  0
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    3.1569    1.6178    5.3013 C   0  0  0  0  0
    3.3211    2.1328    4.0199 C   0  0  0  0  0
    2.4986    1.6999    2.9735 C   0  0  0  0  0
    1.4913    0.7514    3.1956 C   0  0  0  0  0
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    1.0495    1.9258   -0.7911 H   0  0  0  0  0
    0.3221    2.4892    0.6988 H   0  0  0  0  0
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   -1.7730    1.4715    0.1753 H   0  0  0  0  0
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    1.9332   -1.2207   -0.3754 H   0  0  0  0  0
    2.1065    0.6128    0.7336 H   0  0  0  0  0
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   -1.3793    0.5599    4.2538 H   0  0  0  0  0
    0.6462   -1.7575    4.4809 H   0  0  0  0  0
   -0.0063   -0.8015    5.8249 H   0  0  0  0  0
    2.0380    0.2766    6.5468 H   0  0  0  0  0
    3.7990    1.9524    6.1120 H   0  0  0  0  0
    4.0882    2.8798    3.8319 H   0  0  0  0  0
    2.6496    2.1598    2.0026 H   0  0  0  0  0
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   -4.0692  -10.5706   -5.2618 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
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  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL304486

>  <PubChem CID>
14969544

>  <Formula>
C24H29N3O3

>  <Molecular Weight>
407.514000

>  <IUPAC Name>
1-[1-[4-(3-aminopropoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OCCCN

>  <Isomeric SMILES>
C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OCCCN

>  <InChI Std. ID>
InChI=1S/C24H29N3O3/c25-14-3-17-30-21-9-6-19(7-10-21)24(29)26-15-12-20(13-16-26)27-22-5-2-1-4-18(22)8-11-23(27)28/h1-2,4-7,9-10,20H,3,8,11-17,25H2

>  <InChI Key>
GMXWKYHLBDDQIN-UHFFFAOYSA-N

