
 CHEMBL3982702

 62 64  0  0  0  0  0  0  0  0999 V2000
   -0.4757   -7.7456    4.8195 C   0  0  0  0  0
    0.4549   -8.5555    3.9742 C   0  0  0  0  0
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    4.6910   -8.8830    1.7490 N   0  0  0  0  0
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    8.1345   -3.3057   -0.3223 C   0  0  0  0  0
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   12.3573    0.4966   -0.7610 C   0  0  0  0  0
    0.0479   -7.3726    5.7053 H   0  0  0  0  0
   -1.3320   -8.3398    5.1552 H   0  0  0  0  0
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    4.6660   -9.8055    2.1621 H   0  0  0  0  0
    5.4841   -6.4694    0.6327 H   0  0  0  0  0
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    6.7127  -10.5241    1.5222 H   0  0  0  0  0
    7.0144   -5.4532   -1.3122 H   0  0  0  0  0
    8.7354   -5.7177   -1.1177 H   0  0  0  0  0
    7.3345   -3.1120   -1.0478 H   0  0  0  0  0
    9.0683   -3.4017   -0.8921 H   0  0  0  0  0
    8.4510   -1.2011    0.0042 H   0  0  0  0  0
    7.2485   -1.9152    1.0645 H   0  0  0  0  0
    9.1989   -1.4784    2.4285 H   0  0  0  0  0
    9.7312   -3.8345    3.1791 H   0  0  0  0  0
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   14.4461   -0.5811    0.6080 H   0  0  0  0  0
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   12.8477   -2.9364   -0.6976 H   0  0  0  0  0
   13.6890   -1.6981   -1.6266 H   0  0  0  0  0
   11.5991    0.5233   -1.5523 H   0  0  0  0  0
   13.3253    0.7392   -1.2140 H   0  0  0  0  0
   12.1119    1.2919   -0.0476 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 37  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
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 25 26  2  0  0  0
 27 28  1  0  0  0
 27 53  1  0  0  0
 28 31  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
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 31 60  1  0  0  0
 31 61  1  0  0  0
 31 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3982702

>  <PubChem CID>
129626248

>  <Formula>
C24H31FN4O2

>  <Molecular Weight>
426.536000

>  <IUPAC Name>
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-fluorophenyl]-5-methylpyridine-3-carboxamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CN=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)CN3CCC(CC3)C(=O)NC(C)(C)C

>  <Isomeric SMILES>
CC1=CN=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)CN3CCC(CC3)C(=O)NC(C)(C)C

>  <InChI Std. ID>
InChI=1S/C24H31FN4O2/c1-16-11-18(14-26-13-16)22(30)27-20-5-6-21(25)19(12-20)15-29-9-7-17(8-10-29)23(31)28-24(2,3)4/h5-6,11-14,17H,7-10,15H2,1-4H3,(H,27,30)(H,28,31)

>  <InChI Key>
AKPQWVFYNAMCKR-UHFFFAOYSA-N

