
 CHEMBL10309

 53 56  0  0  0  0  0  0  0  0999 V2000
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    5.7716    0.0855    2.1846 O   0  0  0  0  0
    3.8332    1.2375    2.3416 N   0  0  0  0  0
    2.4781    1.4484    2.2442 C   0  0  0  0  0
    2.1094    2.6234    2.2552 O   0  0  0  0  0
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   -0.4779   -0.8370    3.2315 C   0  0  0  0  0
   -1.6784   -0.7638    3.9491 C   0  0  0  0  0
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   -3.7710   -1.2640   -2.8563 C   0  0  0  0  0
   -5.6121   -4.9530   -3.4080 Br  0  0  0  0  0
    1.1231    1.2453   -1.3750 H   0  0  0  0  0
    1.0430    2.2180    0.0669 H   0  0  0  0  0
   -1.1108    1.9990   -1.0895 H   0  0  0  0  0
   -1.2215    1.4010    0.5514 H   0  0  0  0  0
   -1.1724   -1.2908    0.7820 H   0  0  0  0  0
   -1.0147   -2.1597   -0.7323 H   0  0  0  0  0
    1.1239   -2.1016    0.4284 H   0  0  0  0  0
    1.1722   -1.3795   -1.1535 H   0  0  0  0  0
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    1.8284   -1.9562    2.4292 H   0  0  0  0  0
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    4.2493   -1.9751    2.5908 H   0  0  0  0  0
    3.7422   -1.4506    0.9798 H   0  0  0  0  0
    4.3876    2.0770    2.4432 H   0  0  0  0  0
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   -4.6551   -2.3527   -4.4872 H   0  0  0  0  0
   -3.5036   -0.4150   -3.4821 H   0  0  0  0  0
  1  6  1  0  0  0
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  3 21  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7 13  1  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL10309

>  <PubChem CID>
14479864

>  <Formula>
C23H25BrN2O2

>  <Molecular Weight>
441.369000

>  <IUPAC Name>
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=C(C=C4)Br

>  <Isomeric SMILES>
C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=C(C=C4)Br

>  <InChI Std. ID>
InChI=1S/C23H25BrN2O2/c24-20-8-6-17(7-9-20)16-26-14-11-19(12-15-26)23(18-4-2-1-3-5-18)13-10-21(27)25-22(23)28/h1-9,19H,10-16H2,(H,25,27,28)

>  <InChI Key>
KIBLABCMQPRMIQ-UHFFFAOYSA-N

