
 CHEMBL491611

 69 74  0  0  0  0  0  0  0  0999 V2000
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    0.4731    2.0015   -4.1562 H   0  0  0  0  0
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   -4.7159    5.7302    1.2888 H   0  0  0  0  0
   -3.8753    4.3439    0.5930 H   0  0  0  0  0
   -6.0283    4.0080    2.2742 H   0  0  0  0  0
   -5.1621    1.8653    3.0591 H   0  0  0  0  0
   -4.9474    2.0881    1.3379 H   0  0  0  0  0
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   -9.7139    6.0819    1.9514 H   0  0  0  0  0
  1  6  1  0  0  0
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  1 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL491611

>  <PubChem CID>
44579708

>  <Formula>
C30H34FN3O

>  <Molecular Weight>
471.620000

>  <IUPAC Name>
N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-piperidin-1-ylbenzamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(CC1)C2=CC=CC=C2C(=O)NC3CC4CCC(C3)N4CC5=CC6=C(C=C5)C=C(C=C6)F

>  <Isomeric SMILES>
C1CCN(CC1)C2=CC=CC=C2C(=O)NC3C[C@H]4CC[C@H](C3)N4CC5=CC6=C(C=C5)C=C(C=C6)F

>  <InChI Std. ID>
InChI=1S/C30H34FN3O/c31-24-11-10-22-16-21(8-9-23(22)17-24)20-34-26-12-13-27(34)19-25(18-26)32-30(35)28-6-2-3-7-29(28)33-14-4-1-5-15-33/h2-3,6-11,16-17,25-27H,1,4-5,12-15,18-20H2,(H,32,35)/t26-,27-/m1/s1

>  <InChI Key>
AIVQQWMRXBLFQN-KAYWLYCHSA-N

