
 CHEMBL198935

 60 63  0  0  0  0  0  0  0  0999 V2000
    0.3513   -0.2018   -2.2672 C   0  0  0  0  0
   -1.1400   -0.0287   -1.9725 C   0  0  0  0  0
   -1.4153    0.0977   -0.5329 N   0  0  0  0  0
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    0.8466    1.0479   -0.1424 C   0  0  0  0  0
    1.2107    0.8979   -1.6291 C   0  0  0  0  0
    2.6927    0.5875   -1.8786 C   0  0  0  0  0
    3.3349    1.0792   -3.0350 C   0  0  0  0  0
    4.6772    0.7953   -3.2989 C   0  0  0  0  0
    5.4035    0.0037   -2.4159 C   0  0  0  0  0
    4.7893   -0.5124   -1.2782 C   0  0  0  0  0
    3.4440   -0.2291   -1.0169 C   0  0  0  0  0
    7.0553   -0.3444   -2.7329 Cl  0  0  0  0  0
    0.9372    2.1565   -2.2730 O   0  0  0  0  0
   -2.8546    0.2947   -0.2636 C   0  0  0  0  0
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   -5.2112   -0.7374   -0.3118 C   0  0  0  0  0
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   -5.6524    1.2749   -5.0987 C   0  0  0  0  0
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   -9.9628    1.0208    0.7059 C   0  0  0  0  0
   -9.1305    2.1245    0.5499 C   0  0  0  0  0
   -7.8367    1.9577    0.0532 C   0  0  0  0  0
    0.6690   -1.1884   -1.9033 H   0  0  0  0  0
    0.4848   -0.2060   -3.3573 H   0  0  0  0  0
   -1.6373   -0.9165   -2.3775 H   0  0  0  0  0
   -1.5354    0.8348   -2.5214 H   0  0  0  0  0
   -0.9947    2.1754   -0.3380 H   0  0  0  0  0
   -0.8440    1.2397    1.1457 H   0  0  0  0  0
    1.3566    1.9204    0.2849 H   0  0  0  0  0
    1.1610    0.1737    0.4381 H   0  0  0  0  0
    2.7856    1.6976   -3.7413 H   0  0  0  0  0
    5.1443    1.1966   -4.1938 H   0  0  0  0  0
    5.3504   -1.1413   -0.5902 H   0  0  0  0  0
    3.0012   -0.6721   -0.1292 H   0  0  0  0  0
   -0.0183    2.3186   -2.2537 H   0  0  0  0  0
   -3.1919    1.2182   -0.7487 H   0  0  0  0  0
   -2.9975    0.4258    0.8166 H   0  0  0  0  0
   -3.3492   -1.8065   -0.2408 H   0  0  0  0  0
   -3.6677   -1.0338   -1.7819 H   0  0  0  0  0
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   -5.3635    1.3722   -0.3543 H   0  0  0  0  0
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   -7.9008   -1.4137   -0.4383 H   0  0  0  0  0
  -10.1581   -1.1083    0.4665 H   0  0  0  0  0
  -10.9684    1.1478    1.0987 H   0  0  0  0  0
   -9.4865    3.1163    0.8150 H   0  0  0  0  0
   -7.2047    2.8357   -0.0579 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 10  2  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 41  1  0  0  0
 12 42  1  0  0  0
 14 43  1  0  0  0
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 18 25  1  0  0  0
 18 19  1  0  0  0
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 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
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 23 24  2  0  0  0
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 24 55  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 56  1  0  0  0
 27 28  2  0  0  0
 27 57  1  0  0  0
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 28 58  1  0  0  0
 29 30  2  0  0  0
 29 59  1  0  0  0
 30 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL198935

>  <PubChem CID>
10526132

>  <Formula>
C27H30ClNO

>  <Molecular Weight>
419.993000

>  <IUPAC Name>
4-(4-chlorophenyl)-1-(4,4-diphenylbutyl)piperidin-4-ol

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C27H30ClNO/c28-25-15-13-24(14-16-25)27(30)17-20-29(21-18-27)19-7-12-26(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,26,30H,7,12,17-21H2

>  <InChI Key>
LLQCATMGHGFZSS-UHFFFAOYSA-N

