
 CHEMBL1288138

 61 63  0  0  0  0  0  0  0  0999 V2000
    5.7118    2.5731    2.3510 C   0  0  0  0  0
    6.2622    2.2350    0.9675 C   0  0  0  0  0
    7.7792    2.4432    0.9368 C   0  0  0  0  0
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    3.9357    1.3257   -0.7939 C   0  0  0  0  0
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    4.6997   -0.2542   -2.5334 N   0  0  0  0  0
    5.2742   -1.1532   -1.5146 C   0  0  0  0  0
    4.5625   -0.9819   -0.1705 C   0  0  0  0  0
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    6.4242   -0.4208   -6.4427 C   0  0  0  0  0
    7.2097   -0.6193   -5.3054 C   0  0  0  0  0
    6.6440   -0.5803   -4.0244 C   0  0  0  0  0
    7.0898   -0.4321   -7.6895 N   0  0  0  0  0
    6.5830   -0.0215   -8.9110 C   0  0  0  0  0
    5.4128    0.3146   -9.0949 O   0  0  0  0  0
    7.5731   -0.0716  -10.1111 C   0  0  0  0  0
    7.2447   -1.3761  -10.8706 C   0  0  0  0  0
    7.2273    1.1065  -11.0546 C   0  0  0  0  0
    9.0580    0.0474   -9.7078 C   0  0  0  0  0
    9.5112    1.1872   -9.0143 C   0  0  0  0  0
   10.8492    1.3218   -8.6338 C   0  0  0  0  0
   11.7669    0.3226   -8.9423 C   0  0  0  0  0
   11.3457   -0.8106   -9.6284 C   0  0  0  0  0
   10.0062   -0.9484  -10.0055 C   0  0  0  0  0
    2.7674    0.0494   -4.8936 Cl  0  0  0  0  0
    4.6182    2.5302    2.3657 H   0  0  0  0  0
    6.0040    3.5872    2.6446 H   0  0  0  0  0
    6.0911    1.8834    3.1131 H   0  0  0  0  0
    5.8392    2.9249    0.2306 H   0  0  0  0  0
    8.2936    1.7942    1.6549 H   0  0  0  0  0
    8.0323    3.4811    1.1794 H   0  0  0  0  0
    8.1826    2.2313   -0.0608 H   0  0  0  0  0
    6.3689    0.2226    1.3163 H   0  0  0  0  0
    4.0168    0.5604    1.2216 H   0  0  0  0  0
    3.8870    2.3826   -0.5115 H   0  0  0  0  0
    2.8918    0.9986   -0.9022 H   0  0  0  0  0
    4.0956    1.7608   -2.8753 H   0  0  0  0  0
    5.6606    1.5907   -2.0771 H   0  0  0  0  0
    5.1579   -2.1943   -1.8402 H   0  0  0  0  0
    6.3432   -0.9705   -1.3631 H   0  0  0  0  0
    3.5165   -1.3018   -0.2670 H   0  0  0  0  0
    5.0218   -1.6405    0.5773 H   0  0  0  0  0
    4.3997   -0.0680   -7.1288 H   0  0  0  0  0
    8.2831   -0.7730   -5.3882 H   0  0  0  0  0
    7.3167   -0.6843   -3.1787 H   0  0  0  0  0
    8.0804   -0.6419   -7.6542 H   0  0  0  0  0
    7.4504   -2.2622  -10.2600 H   0  0  0  0  0
    7.8187   -1.4566  -11.8017 H   0  0  0  0  0
    6.1834   -1.4215  -11.1432 H   0  0  0  0  0
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    6.2123    1.0133  -11.4606 H   0  0  0  0  0
    7.9206    1.1594  -11.9020 H   0  0  0  0  0
    8.8209    1.9903   -8.7579 H   0  0  0  0  0
   11.1752    2.2123   -8.1024 H   0  0  0  0  0
   12.8095    0.4306   -8.6558 H   0  0  0  0  0
   12.0619   -1.5900   -9.8808 H   0  0  0  0  0
    9.7350   -1.8510  -10.5475 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
 10 45  1  0  0  0
 10 46  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
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 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
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 25 26  2  0  0  0
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 27 28  2  0  0  0
 27 60  1  0  0  0
 28 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1288138

>  <PubChem CID>
52947370

>  <Formula>
C24H32ClN3O

>  <Molecular Weight>
413.990000

>  <IUPAC Name>
N-[3-chloro-4-[4-(propan-2-ylamino)piperidin-1-yl]phenyl]-2-methyl-2-phenylpropanamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)NC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C(C)(C)C3=CC=CC=C3)Cl

>  <Isomeric SMILES>
CC(C)NC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C(C)(C)C3=CC=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C24H32ClN3O/c1-17(2)26-19-12-14-28(15-13-19)22-11-10-20(16-21(22)25)27-23(29)24(3,4)18-8-6-5-7-9-18/h5-11,16-17,19,26H,12-15H2,1-4H3,(H,27,29)

>  <InChI Key>
AKLVTHKWZDHWGM-UHFFFAOYSA-N

