
 CHEMBL2164906

 47 49  0  0  0  0  0  0  0  0999 V2000
    8.5149   -2.7380   -4.1553 C   0  0  0  0  0
    8.8566   -2.2991   -5.5063 N   0  0  0  0  0
    7.6706   -1.8896   -6.2783 C   0  0  0  0  0
    7.0277   -0.5495   -5.8643 C   0  0  0  0  0
    7.9915    0.5391   -5.6504 N   0  0  0  0  0
    9.2442    0.1515   -4.9938 C   0  0  0  0  0
    9.8210   -1.1833   -5.4928 C   0  0  0  0  0
    7.5868    1.8605   -5.4389 C   0  0  0  0  0
    8.2833    2.6254   -4.7601 O   0  0  0  0  0
    6.3094    2.3829   -6.1261 C   0  0  0  0  0
    5.6232    3.4016   -5.1795 C   0  0  0  0  0
    4.3436    4.0145   -5.7083 C   0  0  0  0  0
    3.2056    3.2345   -5.9516 C   0  0  0  0  0
    2.0340    3.8244   -6.4329 C   0  0  0  0  0
    1.9858    5.1975   -6.6685 C   0  0  0  0  0
    3.1100    5.9827   -6.4274 C   0  0  0  0  0
    4.2822    5.3947   -5.9514 C   0  0  0  0  0
    6.6487    2.9996   -7.4807 C   0  0  0  0  0
    6.0265    2.5290   -8.6467 C   0  0  0  0  0
    6.2981    3.1173   -9.8841 C   0  0  0  0  0
    7.1942    4.1806   -9.9731 C   0  0  0  0  0
    7.8241    4.6548   -8.8259 C   0  0  0  0  0
    7.5550    4.0683   -7.5887 C   0  0  0  0  0
    9.4143   -3.0771   -3.6284 H   0  0  0  0  0
    7.8359   -3.5968   -4.1940 H   0  0  0  0  0
    8.0405   -1.9589   -3.5503 H   0  0  0  0  0
    6.9117   -2.6815   -6.2545 H   0  0  0  0  0
    7.9754   -1.8096   -7.3302 H   0  0  0  0  0
    6.3144   -0.2654   -6.6407 H   0  0  0  0  0
    6.4699   -0.6681   -4.9281 H   0  0  0  0  0
    9.9902    0.9399   -5.1574 H   0  0  0  0  0
    9.0534    0.1095   -3.9144 H   0  0  0  0  0
   10.1872   -1.0439   -6.5188 H   0  0  0  0  0
   10.7031   -1.4518   -4.8991 H   0  0  0  0  0
    5.6015    1.5639   -6.2705 H   0  0  0  0  0
    6.3199    4.2063   -4.9114 H   0  0  0  0  0
    5.3864    2.9030   -4.2292 H   0  0  0  0  0
    3.2191    2.1638   -5.7674 H   0  0  0  0  0
    1.1555    3.2135   -6.6224 H   0  0  0  0  0
    1.0733    5.6562   -7.0396 H   0  0  0  0  0
    3.0774    7.0535   -6.6104 H   0  0  0  0  0
    5.1529    6.0229   -5.7749 H   0  0  0  0  0
    5.3094    1.7134   -8.6003 H   0  0  0  0  0
    5.8015    2.7525  -10.7792 H   0  0  0  0  0
    7.3978    4.6431  -10.9350 H   0  0  0  0  0
    8.5215    5.4858   -8.8903 H   0  0  0  0  0
    8.0553    4.4599   -6.7043 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 18  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 16 41  1  0  0  0
 17 42  1  0  0  0
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 18 23  1  0  0  0
 19 20  1  0  0  0
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 20 21  2  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
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 22 23  2  0  0  0
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 23 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2164906

>  <PubChem CID>
71451571

>  <Formula>
C20H24N2O

>  <Molecular Weight>
308.425000

>  <IUPAC Name>
(2R)-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
CN1CCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3/t19-/m1/s1

>  <InChI Key>
AMEZAJPSLZEMQP-LJQANCHMSA-N

