
 CHEMBL280314

 64 67  0  0  0  0  0  0  0  0999 V2000
    4.3016    2.5968   -6.7712 C   0  0  0  0  0
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    3.4641    2.9813   -6.1784 H   0  0  0  0  0
    3.8926    1.8032   -7.4067 H   0  0  0  0  0
    4.6688    3.4027   -7.4166 H   0  0  0  0  0
    6.0342    0.7318   -7.3888 H   0  0  0  0  0
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    4.9799    3.5906   -4.4880 H   0  0  0  0  0
    6.3290    3.9320   -5.5494 H   0  0  0  0  0
    7.7256    2.2797   -4.3318 H   0  0  0  0  0
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    8.3151    4.8016    1.2301 H   0  0  0  0  0
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    8.3037    1.3598   -2.3321 H   0  0  0  0  0
    9.8998    0.5158    0.8736 H   0  0  0  0  0
    9.9113   -3.3790   -1.3470 H   0  0  0  0  0
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    8.7497   -3.8989    1.4200 H   0  0  0  0  0
    9.5350   -5.0159    0.3344 H   0  0  0  0  0
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    8.4020    6.8158   -0.1497 H   0  0  0  0  0
    6.8538    6.4992    0.7260 H   0  0  0  0  0
  1  2  1  0  0  0
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  2  4  1  0  0  0
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  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
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 33 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL280314

>  <PubChem CID>
10551680

>  <Formula>
C25H31FN4O3

>  <Molecular Weight>
454.546000

>  <IUPAC Name>
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)CCOC1=C(C=CC(=C1)NC(=O)N2CCC(CC2)C3=CNC4=C3C=C(C=C4)F)OC

>  <Isomeric SMILES>
CN(C)CCOC1=C(C=CC(=C1)NC(=O)N2CCC(CC2)C3=CNC4=C3C=C(C=C4)F)OC

>  <InChI Std. ID>
InChI=1S/C25H31FN4O3/c1-29(2)12-13-33-24-15-19(5-7-23(24)32-3)28-25(31)30-10-8-17(9-11-30)21-16-27-22-6-4-18(26)14-20(21)22/h4-7,14-17,27H,8-13H2,1-3H3,(H,28,31)

>  <InChI Key>
GHQNRRDUAUSWGE-UHFFFAOYSA-N

