
 CHEMBL1257811

 55 57  0  0  0  0  0  0  0  0999 V2000
    0.3026    1.1328   -3.5996 C   0  0  0  0  0
    0.3305    2.0855   -2.4404 C   0  0  0  0  0
    1.5250    2.7055   -2.0466 C   0  0  0  0  0
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   -0.8296    2.3231   -1.7045 C   0  0  0  0  0
    0.3193    4.7494    0.9733 C   0  0  0  0  0
    2.8901    4.2058   -0.5519 C   0  0  0  0  0
    3.0055    4.8028    0.5156 O   0  0  0  0  0
    4.0756    4.0714   -1.5040 C   0  0  0  0  0
    5.3205    4.8290   -1.0273 C   0  0  0  0  0
    5.1627    6.3522   -1.1602 C   0  0  0  0  0
    6.3619    7.1057   -0.7434 N   0  0  0  0  0
    6.2520    8.5303   -1.0962 C   0  0  0  0  0
    5.2074    9.2943   -0.2747 C   0  0  0  0  0
    5.3925    9.1006    1.2461 C   0  0  0  0  0
    5.6525    7.6280    1.6116 C   0  0  0  0  0
    6.6771    6.9712    0.6859 C   0  0  0  0  0
    4.2026    9.6103    2.0730 C   0  0  0  0  0
    4.4107   10.2564    3.3069 C   0  0  0  0  0
    3.3381   10.6931    4.0912 C   0  0  0  0  0
    2.0344   10.4862    3.6548 C   0  0  0  0  0
    1.7958    9.8336    2.4508 C   0  0  0  0  0
    2.8708    9.3888    1.6735 C   0  0  0  0  0
    0.7118   11.0250    4.6140 Cl  0  0  0  0  0
    6.5439    9.8778    1.6289 O   0  0  0  0  0
    1.1784    1.2639   -4.2433 H   0  0  0  0  0
   -0.5849    1.3066   -4.2170 H   0  0  0  0  0
    0.2901    0.1010   -3.2359 H   0  0  0  0  0
    2.4200    2.4789   -2.6200 H   0  0  0  0  0
   -1.7249    3.3530   -0.0564 H   0  0  0  0  0
   -1.7640    1.8366   -1.9760 H   0  0  0  0  0
   -0.7123    4.8845    1.3179 H   0  0  0  0  0
    0.6942    5.7453    0.7163 H   0  0  0  0  0
    0.8865    4.3317    1.8110 H   0  0  0  0  0
    3.7867    4.4268   -2.4989 H   0  0  0  0  0
    4.3385    3.0090   -1.5608 H   0  0  0  0  0
    6.1791    4.5069   -1.6300 H   0  0  0  0  0
    5.5299    4.5411    0.0081 H   0  0  0  0  0
    4.2724    6.6890   -0.6206 H   0  0  0  0  0
    4.9749    6.5635   -2.2214 H   0  0  0  0  0
    6.0250    8.6358   -2.1647 H   0  0  0  0  0
    7.2356    9.0004   -0.9704 H   0  0  0  0  0
    5.2817   10.3607   -0.5245 H   0  0  0  0  0
    4.2195    8.9686   -0.6131 H   0  0  0  0  0
    6.0301    7.5590    2.6408 H   0  0  0  0  0
    4.7199    7.0504    1.5840 H   0  0  0  0  0
    7.6647    7.4168    0.8631 H   0  0  0  0  0
    6.8078    5.9213    0.9666 H   0  0  0  0  0
    5.4223   10.4215    3.6736 H   0  0  0  0  0
    3.5323   11.1883    5.0391 H   0  0  0  0  0
    0.7791    9.6567    2.1125 H   0  0  0  0  0
    2.6406    8.8470    0.7594 H   0  0  0  0  0
    7.3184    9.5392    1.1530 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
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 14 19  1  0  0  0
 14 15  1  0  0  0
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 17 18  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1257811

>  <PubChem CID>
49782603

>  <Formula>
C23H28ClNO2

>  <Molecular Weight>
385.932000

>  <IUPAC Name>
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2,5-dimethylphenyl)butan-1-one

>  <XlogP>
3.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=C(C=C1)C)C(=O)CCCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)C)C(=O)CCCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O

>  <InChI Std. ID>
InChI=1S/C23H28ClNO2/c1-17-5-6-18(2)21(16-17)22(26)4-3-13-25-14-11-23(27,12-15-25)19-7-9-20(24)10-8-19/h5-10,16,27H,3-4,11-15H2,1-2H3

>  <InChI Key>
DRDXZCGSMVSSLQ-UHFFFAOYSA-N

