
 LY334370

 48 51  0  0  0  0  0  0  0  0999 V2000
    0.3173    1.5041   -2.5491 C   0  0  0  0  0
    1.6611    1.9434   -2.9125 N   0  0  0  0  0
    2.6193    1.7898   -1.8121 C   0  0  0  0  0
    3.0514    0.3460   -1.5467 C   0  0  0  0  0
    3.5433   -0.3761   -2.8079 C   0  0  0  0  0
    2.5819   -0.1476   -3.9839 C   0  0  0  0  0
    2.1439    1.3103   -4.1441 C   0  0  0  0  0
    4.9923   -0.0775   -3.1363 C   0  0  0  0  0
    5.5323    1.1161   -3.5788 C   0  0  0  0  0
    6.8787    0.9551   -3.7554 N   0  0  0  0  0
    7.2493   -0.3244   -3.4278 C   0  0  0  0  0
    6.0964   -0.9980   -3.0285 C   0  0  0  0  0
    6.2261   -2.3460   -2.6217 C   0  0  0  0  0
    7.4848   -2.9754   -2.6244 C   0  0  0  0  0
    8.6049   -2.2627   -3.0470 C   0  0  0  0  0
    8.5099   -0.9264   -3.4532 C   0  0  0  0  0
    7.5289   -4.3159   -2.1782 N   0  0  0  0  0
    8.6444   -5.1249   -2.0481 C   0  0  0  0  0
    9.8072   -4.8194   -2.2897 O   0  0  0  0  0
    8.3779   -6.4913   -1.5120 C   0  0  0  0  0
    7.1901   -7.1855   -1.7868 C   0  0  0  0  0
    6.9849   -8.4572   -1.2440 C   0  0  0  0  0
    7.9678   -9.0328   -0.4445 C   0  0  0  0  0
    9.1592   -8.3674   -0.1829 C   0  0  0  0  0
    9.3679   -7.0960   -0.7207 C   0  0  0  0  0
    7.7642  -10.2505    0.0737 F   0  0  0  0  0
   -0.3873    1.7243   -3.3598 H   0  0  0  0  0
   -0.0409    2.0551   -1.6729 H   0  0  0  0  0
    0.2581    0.4338   -2.3280 H   0  0  0  0  0
    2.2032    2.2175   -0.8913 H   0  0  0  0  0
    3.5009    2.4032   -2.0301 H   0  0  0  0  0
    3.8232    0.3327   -0.7676 H   0  0  0  0  0
    2.1961   -0.2076   -1.1377 H   0  0  0  0  0
    3.4975   -1.4515   -2.5857 H   0  0  0  0  0
    3.0281   -0.5009   -4.9216 H   0  0  0  0  0
    1.6863   -0.7624   -3.8225 H   0  0  0  0  0
    2.9760    1.9048   -4.5355 H   0  0  0  0  0
    1.3736    1.3715   -4.9234 H   0  0  0  0  0
    5.0804    2.0762   -3.7837 H   0  0  0  0  0
    7.5152    1.6731   -4.0731 H   0  0  0  0  0
    5.3407   -2.8842   -2.3016 H   0  0  0  0  0
    9.5911   -2.7172   -3.0686 H   0  0  0  0  0
    9.3949   -0.3832   -3.7699 H   0  0  0  0  0
    6.6474   -4.6861   -1.8510 H   0  0  0  0  0
    6.4295   -6.7682   -2.4409 H   0  0  0  0  0
    6.0715   -9.0077   -1.4464 H   0  0  0  0  0
    9.9177   -8.8395    0.4338 H   0  0  0  0  0
   10.3017   -6.5733   -0.5200 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
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  4 33  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
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  6  7  1  0  0  0
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  6 36  1  0  0  0
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  7 38  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
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 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
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 25 48  1  0  0  0
M  END

>  <Chemical Name>
LY334370

>  <PubChem CID>
5311258

>  <Formula>
C21H22FN3O

>  <Molecular Weight>
351.425000

>  <IUPAC Name>
4-fluoro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C21H22FN3O/c1-25-10-8-14(9-11-25)19-13-23-20-7-6-17(12-18(19)20)24-21(26)15-2-4-16(22)5-3-15/h2-7,12-14,23H,8-11H2,1H3,(H,24,26)

>  <InChI Key>
MDMJLMDBRQXOOI-UHFFFAOYSA-N

