
 CHEMBL458722

 66 68  0  0  0  0  0  0  0  0999 V2000
    3.2793    1.1985   -4.2405 C   0  0  0  0  0
    2.4781    2.1887   -3.4075 C   0  0  0  0  0
    3.0409    2.3722   -1.9915 C   0  0  0  0  0
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    7.3394    2.4926   -1.3323 C   0  0  0  0  0
    8.7182    2.5367   -1.0873 C   0  0  0  0  0
    9.2312    3.0287    0.1255 C   0  0  0  0  0
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    6.9286    3.4842    0.8170 C   0  0  0  0  0
   10.6774    2.9670    0.4296 C   0  0  0  0  0
   11.6501    3.2867   -0.5321 C   0  0  0  0  0
   13.0187    3.1763   -0.2448 C   0  0  0  0  0
   13.4507    2.7556    1.0178 C   0  0  0  0  0
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   11.1320    2.5431    1.6935 C   0  0  0  0  0
   14.9258    2.6283    1.3234 C   0  0  0  0  0
   15.4659    1.2216    1.0006 C   0  0  0  0  0
   16.8954    1.0520    1.3333 N   0  0  0  0  0
   17.3058   -0.3618    1.2656 C   0  0  0  0  0
   17.4141   -0.9149   -0.1596 C   0  0  0  0  0
   18.3094   -0.0412   -1.0328 C   0  0  0  0  0
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    2.8189    1.0765   -5.2262 H   0  0  0  0  0
    3.3064    0.2155   -3.7584 H   0  0  0  0  0
    4.3090    1.5373   -4.3898 H   0  0  0  0  0
    1.4498    1.8160   -3.3231 H   0  0  0  0  0
    2.4118    3.1475   -3.9323 H   0  0  0  0  0
    3.0158    1.3813   -1.5177 H   0  0  0  0  0
    2.3545    2.9984   -1.4086 H   0  0  0  0  0
    4.3119    4.2259   -3.5524 H   0  0  0  0  0
    5.6253    4.5339   -2.4770 H   0  0  0  0  0
    4.0341    5.4699   -0.7578 H   0  0  0  0  0
    2.6850    5.1607   -1.8554 H   0  0  0  0  0
    5.0651    6.9851   -2.4550 H   0  0  0  0  0
    3.4343    7.5035   -1.9951 H   0  0  0  0  0
    3.6955    6.6830   -3.5438 H   0  0  0  0  0
    4.7277    1.7661   -0.1759 H   0  0  0  0  0
    4.3897    3.4617    0.1210 H   0  0  0  0  0
    6.9809    2.0664   -2.2675 H   0  0  0  0  0
    9.3887    2.1354   -1.8437 H   0  0  0  0  0
    8.6531    3.9311    2.0089 H   0  0  0  0  0
    6.2491    3.8409    1.5879 H   0  0  0  0  0
   11.3525    3.6284   -1.5189 H   0  0  0  0  0
   13.7406    3.4256   -1.0183 H   0  0  0  0  0
   12.8027    2.1015    2.9728 H   0  0  0  0  0
   10.4170    2.2651    2.4652 H   0  0  0  0  0
   15.0990    2.8620    2.3813 H   0  0  0  0  0
   15.4568    3.3966    0.7515 H   0  0  0  0  0
   15.2634    0.9770   -0.0482 H   0  0  0  0  0
   14.8855    0.5046    1.5970 H   0  0  0  0  0
   16.6231   -0.9863    1.8545 H   0  0  0  0  0
   18.2826   -0.4596    1.7570 H   0  0  0  0  0
   17.8186   -1.9322   -0.1272 H   0  0  0  0  0
   16.4177   -0.9871   -0.6114 H   0  0  0  0  0
   19.3514   -0.1512   -0.7067 H   0  0  0  0  0
   18.2638   -0.3786   -2.0742 H   0  0  0  0  0
   18.6491    2.0424   -1.4607 H   0  0  0  0  0
   16.9530    1.5835   -1.4560 H   0  0  0  0  0
   18.8018    1.8324    0.9728 H   0  0  0  0  0
   17.5263    2.9342    0.5629 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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 23 24  1  0  0  0
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 28 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL458722

>  <PubChem CID>
44588350

>  <Formula>
C26H38N2

>  <Molecular Weight>
378.604000

>  <IUPAC Name>
N-[[4-[4-(2-piperidin-1-ylethyl)phenyl]phenyl]methyl]-N-propylpropan-1-amine

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)CC1=CC=C(C=C1)C2=CC=C(C=C2)CCN3CCCCC3

>  <Isomeric SMILES>
CCCN(CCC)CC1=CC=C(C=C1)C2=CC=C(C=C2)CCN3CCCCC3

>  <InChI Std. ID>
InChI=1S/C26H38N2/c1-3-17-28(18-4-2)22-24-10-14-26(15-11-24)25-12-8-23(9-13-25)16-21-27-19-6-5-7-20-27/h8-15H,3-7,16-22H2,1-2H3

>  <InChI Key>
ADEZXGOTOXTWTK-UHFFFAOYSA-N

