
 CHEMBL3982357

 64 66  0  0  0  0  0  0  0  0999 V2000
    1.5348    0.5644    2.9548 C   0  0  0  0  0
    2.6775    0.4137    1.9322 C   0  0  0  0  0
    3.9560    0.0138    2.6819 C   0  0  0  0  0
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    2.8564    1.7101    1.2584 N   0  0  0  0  0
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    4.4360    1.0984   -0.3041 O   0  0  0  0  0
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    4.2629    3.5608   -1.6716 C   0  0  0  0  0
    4.2795    5.0342   -2.0888 C   0  0  0  0  0
    4.9922    5.9162   -1.1517 N   0  0  0  0  0
    4.4738    5.7449    0.2132 C   0  0  0  0  0
    4.4690    4.2986    0.7125 C   0  0  0  0  0
    6.4556    5.7561   -1.2792 C   0  0  0  0  0
    7.2630    6.7910   -0.5163 C   0  0  0  0  0
    7.5870    8.0445   -1.0553 C   0  0  0  0  0
    8.3242    8.9542   -0.2886 C   0  0  0  0  0
    8.6933    8.6422    1.0243 C   0  0  0  0  0
    8.3428    7.4146    1.5893 C   0  0  0  0  0
    7.6642    6.4877    0.8004 C   0  0  0  0  0
    8.6929    7.1818    2.9346 N   0  0  0  0  0
    8.2445    6.1448    3.7346 C   0  0  0  0  0
    7.4245    5.2843    3.4350 O   0  0  0  0  0
    8.7813    6.1407    5.1251 C   0  0  0  0  0
   10.0859    6.5633    5.4182 C   0  0  0  0  0
   10.5405    6.5424    6.7387 C   0  0  0  0  0
    9.6989    6.0935    7.7512 C   0  0  0  0  0
    8.4096    5.6544    7.4721 C   0  0  0  0  0
    7.9503    5.6731    6.1551 C   0  0  0  0  0
   10.1412    6.0762    9.0157 F   0  0  0  0  0
    7.2164    8.2856   -2.3516 O   0  0  0  0  0
    6.8941    9.6402   -2.6528 C   0  0  0  0  0
    0.6006    0.8558    2.4606 H   0  0  0  0  0
    1.7653    1.3384    3.6956 H   0  0  0  0  0
    1.3520   -0.3725    3.4936 H   0  0  0  0  0
    4.2530    0.7911    3.3948 H   0  0  0  0  0
    4.7973   -0.1398    1.9978 H   0  0  0  0  0
    3.8118   -0.9181    3.2414 H   0  0  0  0  0
    1.3976   -0.3947    0.3559 H   0  0  0  0  0
    2.0446   -1.6239    1.4562 H   0  0  0  0  0
    3.0813   -0.9102    0.2245 H   0  0  0  0  0
    2.3960    2.5106    1.6722 H   0  0  0  0  0
    2.6449    3.7215   -0.2785 H   0  0  0  0  0
    3.6503    2.9890   -2.3799 H   0  0  0  0  0
    5.2742    3.1403   -1.7327 H   0  0  0  0  0
    4.6952    5.1300   -3.0995 H   0  0  0  0  0
    3.2427    5.3891   -2.1695 H   0  0  0  0  0
    4.9960    6.3875    0.9293 H   0  0  0  0  0
    3.4404    6.1162    0.2263 H   0  0  0  0  0
    5.4952    3.9279    0.8342 H   0  0  0  0  0
    4.0148    4.2631    1.7110 H   0  0  0  0  0
    6.7403    5.8306   -2.3375 H   0  0  0  0  0
    6.7794    4.7528   -0.9727 H   0  0  0  0  0
    8.6308    9.9121   -0.6942 H   0  0  0  0  0
    9.2467    9.3823    1.5968 H   0  0  0  0  0
    7.4137    5.5065    1.1935 H   0  0  0  0  0
    9.2177    7.9206    3.3845 H   0  0  0  0  0
   10.7659    6.8790    4.6319 H   0  0  0  0  0
   11.5487    6.8617    6.9846 H   0  0  0  0  0
    7.7740    5.2974    8.2767 H   0  0  0  0  0
    6.9440    5.3239    5.9301 H   0  0  0  0  0
    6.3935    9.6556   -3.6264 H   0  0  0  0  0
    7.7994   10.2490   -2.7402 H   0  0  0  0  0
    6.2052   10.0639   -1.9146 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  9 10  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
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 22 23  2  0  0  0
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 24 29  1  0  0  0
 25 26  1  0  0  0
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 26 27  2  0  0  0
 26 59  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 60  1  0  0  0
 29 61  1  0  0  0
 31 32  1  0  0  0
 32 62  1  0  0  0
 32 63  1  0  0  0
 32 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3982357

>  <PubChem CID>
129626069

>  <Formula>
C25H32FN3O3

>  <Molecular Weight>
441.547000

>  <IUPAC Name>
N-tert-butyl-1-[[5-[(4-fluorobenzoyl)amino]-2-methoxyphenyl]methyl]piperidine-4-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C)NC(=O)C1CCN(CC1)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)OC

>  <Isomeric SMILES>
CC(C)(C)NC(=O)C1CCN(CC1)CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)OC

>  <InChI Std. ID>
InChI=1S/C25H32FN3O3/c1-25(2,3)28-24(31)18-11-13-29(14-12-18)16-19-15-21(9-10-22(19)32-4)27-23(30)17-5-7-20(26)8-6-17/h5-10,15,18H,11-14,16H2,1-4H3,(H,27,30)(H,28,31)

>  <InChI Key>
CTWDLNAUIDFXSL-UHFFFAOYSA-N

