
 CHEMBL563305

 67 71  0  0  0  0  0  0  0  0999 V2000
   -2.0574    5.5221    0.2628 C   0  0  0  0  0
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   -0.7967    0.6574    1.1756 H   0  0  0  0  0
    0.9712    2.1341   -0.1999 H   0  0  0  0  0
   -0.7114    1.9925   -0.6458 H   0  0  0  0  0
    1.2131    2.2818    2.7614 H   0  0  0  0  0
    1.7110    1.1387    1.5622 H   0  0  0  0  0
    1.4551    2.0063    5.4536 H   0  0  0  0  0
   -0.0373    2.7362    7.2382 H   0  0  0  0  0
   -2.3419    1.8362    7.4100 H   0  0  0  0  0
   -3.1435    0.1777    5.7486 H   0  0  0  0  0
   -1.6891   -0.5584    3.9275 H   0  0  0  0  0
    1.0762   -0.8237    0.7174 H   0  0  0  0  0
    0.7191   -3.1127   -0.0481 H   0  0  0  0  0
    0.1832   -4.9236    1.5557 H   0  0  0  0  0
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    6.7078   -2.2742    5.0410 H   0  0  0  0  0
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    3.2587   -4.6092    7.7394 H   0  0  0  0  0
    2.7007   -2.4760    6.6368 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
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  2  3  1  0  0  0
  2  6  1  0  0  0
  3  9  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
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  5 41  1  0  0  0
  6  7  1  0  0  0
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  7 43  1  0  0  0
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  8  9  1  0  0  0
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 30 31  2  0  0  0
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 32 33  2  0  0  0
 32 66  1  0  0  0
 33 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL563305

>  <PubChem CID>
45273674

>  <Formula>
C30H34N2O

>  <Molecular Weight>
438.615000

>  <IUPAC Name>
N-benzyl-3-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1C2CCC1CC(C2)CC(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)NCC5=CC=CC=C5

>  <Isomeric SMILES>
CN1[C@@H]2CC[C@@H]1CC(C2)CC(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)NCC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H34N2O/c1-32-27-17-18-28(32)20-24(19-27)21-30(25-13-7-3-8-14-25,26-15-9-4-10-16-26)29(33)31-22-23-11-5-2-6-12-23/h2-16,24,27-28H,17-22H2,1H3,(H,31,33)/t27-,28-/m1/s1

>  <InChI Key>
ABFWCAYAWMISPA-VSGBNLITSA-N

