
 CHEMBL168274

 62 64  0  0  0  0  0  0  0  0999 V2000
    0.8509    3.2423    0.7028 C   0  0  0  0  0
    2.3563    3.2469    0.4888 C   0  0  0  0  0
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    4.1806   -2.3801    2.2487 O   0  0  0  0  0
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    8.1876   -6.7583    4.7004 N   0  0  0  0  0
    7.9156   -8.1604    4.4268 C   0  0  0  0  0
    5.0532   -7.1393    3.9382 Cl  0  0  0  0  0
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    7.2149    5.7346   -2.0422 C   0  0  0  0  0
    6.9171    4.5408   -1.3856 C   0  0  0  0  0
    0.3867    4.0570    0.1379 H   0  0  0  0  0
    0.6036    3.3784    1.7603 H   0  0  0  0  0
    0.4095    2.3001    0.3633 H   0  0  0  0  0
    2.7476    4.2306    0.7710 H   0  0  0  0  0
    2.5666    3.1076   -0.5781 H   0  0  0  0  0
    2.6009    1.1795    1.0551 H   0  0  0  0  0
    2.8630    2.3188    2.3725 H   0  0  0  0  0
    4.6948    1.9251   -0.0428 H   0  0  0  0  0
    4.9431    3.7273    2.4060 H   0  0  0  0  0
    5.1865    4.1691    0.7274 H   0  0  0  0  0
    7.4631    0.9914    2.2085 H   0  0  0  0  0
    6.4806    1.8384    3.3831 H   0  0  0  0  0
    4.6803    0.6762    2.7001 H   0  0  0  0  0
    6.1826   -0.0225    0.1064 H   0  0  0  0  0
    4.5690   -0.6048    0.5181 H   0  0  0  0  0
    7.1437   -1.3576    1.7861 H   0  0  0  0  0
    4.4234   -4.7089    2.8534 H   0  0  0  0  0
    9.1513   -4.4456    4.2465 H   0  0  0  0  0
   10.0419   -3.0357    2.5491 H   0  0  0  0  0
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   10.0851    6.5480   -0.4146 H   0  0  0  0  0
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    6.5567    6.1027   -2.8251 H   0  0  0  0  0
    6.0228    3.9900   -1.6666 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  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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 30 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL168274

>  <PubChem CID>
44380921

>  <Formula>
C24H32ClN3O2

>  <Molecular Weight>
429.989000

>  <IUPAC Name>
N-[[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]methyl]-5-chloro-2-methoxy-4-(methylamino)benzamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCC1CN(CC1CNC(=O)C2=CC(=C(C=C2OC)NC)Cl)CC3=CC=CC=C3

>  <Isomeric SMILES>
CCC[C@H]1CN(C[C@@H]1CNC(=O)C2=CC(=C(C=C2OC)NC)Cl)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C24H32ClN3O2/c1-4-8-18-15-28(14-17-9-6-5-7-10-17)16-19(18)13-27-24(29)20-11-21(25)22(26-2)12-23(20)30-3/h5-7,9-12,18-19,26H,4,8,13-16H2,1-3H3,(H,27,29)/t18-,19-/m0/s1

>  <InChI Key>
FPHFICIJDHPAHE-OALUTQOASA-N

