
 CHEMBL3905718

 55 58  0  0  0  0  0  0  0  0999 V2000
    0.5297   -1.1681    2.1869 C   0  0  0  0  0
    1.7695   -0.3293    2.2790 C   0  0  0  0  0
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    5.3687   -4.3223    1.0390 C   0  0  0  0  0
    6.5830   -4.0143    0.1639 C   0  0  0  0  0
    7.3989   -2.9000    0.6701 N   0  0  0  0  0
    6.5670   -1.6918    0.7228 C   0  0  0  0  0
    5.3311   -1.8137    1.6181 C   0  0  0  0  0
    8.0386   -3.2483    1.9538 C   0  0  0  0  0
    9.1171   -2.3009    2.4433 C   0  0  0  0  0
    9.3523   -2.2082    3.8302 C   0  0  0  0  0
   10.3996   -1.4401    4.3453 C   0  0  0  0  0
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   10.9937   -0.8164    2.0728 C   0  0  0  0  0
    9.9629   -1.6099    1.5705 C   0  0  0  0  0
   10.7176   -1.3595    5.7220 N   0  0  0  0  0
   10.0753   -2.0079    6.7647 C   0  0  0  0  0
    9.0895   -2.7312    6.6769 O   0  0  0  0  0
   10.6787   -1.8277    8.1207 C   0  0  0  0  0
   10.5042   -2.8628    9.0561 C   0  0  0  0  0
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   11.7365   -1.6083   10.6944 C   0  0  0  0  0
   11.9095   -0.5672    9.7875 C   0  0  0  0  0
   11.3757   -0.6701    8.4972 C   0  0  0  0  0
   12.2459   -1.4993   11.9282 F   0  0  0  0  0
    0.0067   -1.4003    3.1093 H   0  0  0  0  0
   -0.1233   -1.0275    1.3349 H   0  0  0  0  0
    2.0878    0.0089    3.2582 H   0  0  0  0  0
    1.9575    0.3808    1.4821 H   0  0  0  0  0
    2.1863   -2.4567    2.7818 H   0  0  0  0  0
    1.6273   -2.1229   -0.0939 H   0  0  0  0  0
    3.9870   -3.3413    2.2960 H   0  0  0  0  0
    4.7590   -5.0934    0.5519 H   0  0  0  0  0
    5.7092   -4.7706    1.9807 H   0  0  0  0  0
    7.2006   -4.9168    0.0701 H   0  0  0  0  0
    6.2565   -3.7846   -0.8580 H   0  0  0  0  0
    7.1628   -0.8280    1.0394 H   0  0  0  0  0
    6.2457   -1.4497   -0.2997 H   0  0  0  0  0
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    4.7147   -0.9181    1.4743 H   0  0  0  0  0
    8.5324   -4.2244    1.8512 H   0  0  0  0  0
    7.2885   -3.3623    2.7451 H   0  0  0  0  0
    8.7075   -2.7795    4.4908 H   0  0  0  0  0
   12.0332   -0.1193    3.8082 H   0  0  0  0  0
   11.6395   -0.2753    1.3861 H   0  0  0  0  0
    9.8215   -1.6923    0.4947 H   0  0  0  0  0
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    9.9490   -3.7588    8.7813 H   0  0  0  0  0
   10.9011   -3.5510   11.0666 H   0  0  0  0  0
   12.4486    0.3231   10.0970 H   0  0  0  0  0
   11.4883    0.1717    7.8221 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
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 13 14  1  0  0  0
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 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 47  1  0  0  0
 16 17  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3905718

>  <PubChem CID>
129626119

>  <Formula>
C23H26FN3O2

>  <Molecular Weight>
395.478000

>  <IUPAC Name>
N-cyclopropyl-1-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CC1NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C23H26FN3O2/c24-19-6-4-17(5-7-19)22(28)26-21-3-1-2-16(14-21)15-27-12-10-18(11-13-27)23(29)25-20-8-9-20/h1-7,14,18,20H,8-13,15H2,(H,25,29)(H,26,28)

>  <InChI Key>
CVTNNDKJGWMFRA-UHFFFAOYSA-N

