
 CHEMBL3956769

 62 65  0  0  0  0  0  0  0  0999 V2000
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   -0.3603    0.1698    1.2129 H   0  0  0  0  0
    1.0892   -0.2738    2.1264 H   0  0  0  0  0
    0.8965   -0.0061   -0.9350 H   0  0  0  0  0
    1.8751    1.8742    1.2322 H   0  0  0  0  0
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    3.6350    2.6327   -0.2267 H   0  0  0  0  0
    4.6020    0.2095   -0.8446 H   0  0  0  0  0
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    1.9919   -3.2008   -0.0392 H   0  0  0  0  0
    1.4340   -2.4662   -3.7239 H   0  0  0  0  0
    1.6491   -4.1650   -5.4629 H   0  0  0  0  0
    2.9419   -7.0250   -2.5024 H   0  0  0  0  0
    2.6943   -5.3321   -0.7627 H   0  0  0  0  0
    1.6460   -8.4050   -3.9901 H   0  0  0  0  0
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    5.4792  -12.7699   -6.3381 H   0  0  0  0  0
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  1  2  1  0  0  0
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  1 31  1  0  0  0
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  2  6  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
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  4  5  1  0  0  0
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  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8  9  1  0  0  0
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  9 10  2  0  0  0
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 29 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3956769

>  <PubChem CID>
134144780

>  <Formula>
C26H33NO2

>  <Molecular Weight>
391.555000

>  <IUPAC Name>
methyl 1-[4-[4-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentane-1-carboxylate

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1CCCN1CCC2=CC=C(C=C2)C3=CC=C(C=C3)C4(CCCC4)C(=O)OC

>  <Isomeric SMILES>
C[C@H]1CCCN1CCC2=CC=C(C=C2)C3=CC=C(C=C3)C4(CCCC4)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C26H33NO2/c1-20-6-5-18-27(20)19-15-21-7-9-22(10-8-21)23-11-13-24(14-12-23)26(25(28)29-2)16-3-4-17-26/h7-14,20H,3-6,15-19H2,1-2H3/t20-/m0/s1

>  <InChI Key>
ABMIIPGFGQPNJZ-FQEVSTJZSA-N

