
 CHEMBL3973660

 60 63  0  0  0  0  0  0  0  0999 V2000
    7.7600   -5.8974    8.2781 C   0  0  0  0  0
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    5.1852   -8.1823   -0.3205 C   0  0  0  0  0
    3.8294   -7.6235   -0.1863 N   0  0  0  0  0
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   -2.5220   -7.8951   -5.9337 F   0  0  0  0  0
    6.7857   -6.0895    7.8160 H   0  0  0  0  0
    7.7189   -4.9270    8.7820 H   0  0  0  0  0
    7.9288   -6.6830    9.0218 H   0  0  0  0  0
   10.4685   -6.0977    8.6841 H   0  0  0  0  0
   11.7808   -5.8277    4.7917 H   0  0  0  0  0
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    9.2552   -4.8239    0.8626 H   0  0  0  0  0
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    6.6877   -6.6357   -2.0101 H   0  0  0  0  0
    6.2179   -7.6176    2.1517 H   0  0  0  0  0
    5.2724   -9.0519    0.3461 H   0  0  0  0  0
    5.3704   -8.5735   -1.3282 H   0  0  0  0  0
    4.3068   -5.6234   -0.7209 H   0  0  0  0  0
    2.6187   -5.9858   -0.6594 H   0  0  0  0  0
    3.3208   -5.7029   -2.9908 H   0  0  0  0  0
    4.5859   -6.8983   -2.8183 H   0  0  0  0  0
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   -1.5315   -7.3308   -3.2220 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
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 10 38  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
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 30 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3973660

>  <PubChem CID>
129626227

>  <Formula>
C24H29FN4O2

>  <Molecular Weight>
424.520000

>  <IUPAC Name>
N-[3-[[4-[(3R)-3-fluoropyrrolidine-1-carbonyl]piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CN=CC(=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)N4CCC(C4)F

>  <Isomeric SMILES>
CC1=CN=CC(=C1)C(=O)NC2=CC=CC(=C2)CN3CCC(CC3)C(=O)N4CC[C@H](C4)F

>  <InChI Std. ID>
InChI=1S/C24H29FN4O2/c1-17-11-20(14-26-13-17)23(30)27-22-4-2-3-18(12-22)15-28-8-5-19(6-9-28)24(31)29-10-7-21(25)16-29/h2-4,11-14,19,21H,5-10,15-16H2,1H3,(H,27,30)/t21-/m1/s1

>  <InChI Key>
BLYLYYYSFJHHDJ-OAQYLSRUSA-N

