
 CHEMBL377925

 53 56  0  0  0  0  0  0  0  0999 V2000
    1.9500    0.1906   -1.6910 C   0  0  0  0  0
    2.9645   -0.7149   -2.3848 C   0  0  0  0  0
    2.9656   -0.4859   -3.8285 N   0  0  0  0  0
    3.3173    0.8965   -4.1524 C   0  0  0  0  0
    2.3700    1.9009   -3.4920 C   0  0  0  0  0
    2.1959    1.6800   -1.9792 C   0  0  0  0  0
    3.3288    2.2276   -1.1402 C   0  0  0  0  0
    3.2414    2.8270    0.0524 C   0  0  0  0  0
    4.6385    3.0442    0.4309 C   0  0  0  0  0
    5.0297    3.4168    1.5219 O   0  0  0  0  0
    5.4112    2.7178   -0.6503 N   0  0  0  0  0
    4.6210    2.0798   -1.6305 O   0  0  0  0  0
    2.0945    3.1051    0.9536 C   0  0  0  0  0
    1.9218    4.5643    1.4087 C   0  0  0  0  0
    1.8181    5.6336    0.2916 C   0  0  0  0  0
    0.7280    5.4260   -0.7572 C   0  0  0  0  0
   -0.4871    4.7821   -0.4812 C   0  0  0  0  0
   -1.4716    4.6611   -1.4649 C   0  0  0  0  0
   -1.2663    5.2008   -2.7322 C   0  0  0  0  0
   -0.0751    5.8602   -3.0194 C   0  0  0  0  0
    0.9139    5.9706   -2.0411 C   0  0  0  0  0
    1.7069    7.0330    0.9071 C   0  0  0  0  0
    0.6097    7.3954    1.7073 C   0  0  0  0  0
    0.5001    8.6850    2.2310 C   0  0  0  0  0
    1.4834    9.6327    1.9610 C   0  0  0  0  0
    2.5784    9.2905    1.1705 C   0  0  0  0  0
    2.6913    7.9997    0.6473 C   0  0  0  0  0
    0.9433   -0.0740   -2.0429 H   0  0  0  0  0
    1.9578   -0.0050   -0.6116 H   0  0  0  0  0
    2.6936   -1.7600   -2.1969 H   0  0  0  0  0
    3.9692   -0.5716   -1.9706 H   0  0  0  0  0
    3.6408   -1.1128   -4.2665 H   0  0  0  0  0
    4.3590    1.0926   -3.8784 H   0  0  0  0  0
    3.2594    1.0227   -5.2395 H   0  0  0  0  0
    2.7123    2.9227   -3.6961 H   0  0  0  0  0
    1.3843    1.8053   -3.9682 H   0  0  0  0  0
    1.2861    2.2230   -1.6919 H   0  0  0  0  0
    6.3809    2.4575   -0.5460 H   0  0  0  0  0
    2.2196    2.4909    1.8553 H   0  0  0  0  0
    1.1634    2.7510    0.5008 H   0  0  0  0  0
    2.7673    4.8276    2.0598 H   0  0  0  0  0
    1.0395    4.6022    2.0606 H   0  0  0  0  0
    2.7754    5.5879   -0.2480 H   0  0  0  0  0
   -0.6940    4.3776    0.5057 H   0  0  0  0  0
   -2.4073    4.1579   -1.2358 H   0  0  0  0  0
   -2.0404    5.1206   -3.4904 H   0  0  0  0  0
    0.0800    6.3028   -3.9998 H   0  0  0  0  0
    1.8288    6.5102   -2.2784 H   0  0  0  0  0
   -0.1802    6.6790    1.9179 H   0  0  0  0  0
   -0.3584    8.9503    2.8422 H   0  0  0  0  0
    1.3938   10.6384    2.3626 H   0  0  0  0  0
    3.3438   10.0317    0.9563 H   0  0  0  0  0
    3.5518    7.7580    0.0278 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
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 13 14  1  0  0  0
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 14 15  1  0  0  0
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 14 42  1  0  0  0
 15 22  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
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 19 20  1  0  0  0
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 20 21  2  0  0  0
 20 47  1  0  0  0
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 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL377925

>  <PubChem CID>
10406358

>  <Formula>
C23H26N2O2

>  <Molecular Weight>
362.473000

>  <IUPAC Name>
4-(3,3-diphenylpropyl)-5-piperidin-4-yl-1,2-oxazol-3-one

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNCCC1C2=C(C(=O)NO2)CCC(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CNCCC1C2=C(C(=O)NO2)CCC(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H26N2O2/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)

>  <InChI Key>
FJADGXRCKLHLAK-UHFFFAOYSA-N

