
 CHEMBL1946780

 64 68  0  0  0  0  0  0  0  0999 V2000
    0.5150   -6.0492   -1.0529 C   0  0  0  0  0
    1.9144   -5.8384   -1.2022 O   0  0  0  0  0
    2.7035   -6.4759   -0.2697 C   0  0  0  0  0
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    5.0952   -3.3205   -2.3922 C   0  0  0  0  0
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    9.4392   -3.7073   -2.3356 O   0  0  0  0  0
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   13.1855   -1.0073   -0.5101 C   0  0  0  0  0
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   12.8330   -5.0466   -5.5705 C   0  0  0  0  0
   12.2005   -4.0136   -4.8730 C   0  0  0  0  0
   -0.0011   -5.2877   -1.6440 H   0  0  0  0  0
    0.1963   -5.9381   -0.0114 H   0  0  0  0  0
    0.2251   -7.0261   -1.4495 H   0  0  0  0  0
    1.5195   -8.2931   -0.1317 H   0  0  0  0  0
    2.9835   -9.3689    1.5165 H   0  0  0  0  0
    5.0302   -8.2133    2.3050 H   0  0  0  0  0
    5.6189   -6.0157    1.4441 H   0  0  0  0  0
    4.0441   -5.1917   -2.4181 H   0  0  0  0  0
    5.6703   -5.3176   -1.7440 H   0  0  0  0  0
    5.5238   -3.4645   -3.3890 H   0  0  0  0  0
    4.1521   -2.7855   -2.5671 H   0  0  0  0  0
    5.9029   -1.6467    0.3969 H   0  0  0  0  0
    4.3555   -1.7381   -0.4117 H   0  0  0  0  0
    5.9288   -4.0550    0.8037 H   0  0  0  0  0
    4.3901   -3.3924    1.3699 H   0  0  0  0  0
    7.3205   -3.9512   -0.8888 H   0  0  0  0  0
    7.8838   -2.3158   -0.7198 H   0  0  0  0  0
    7.6876   -3.8512   -3.3560 H   0  0  0  0  0
    8.7315   -1.0440   -2.7017 H   0  0  0  0  0
    7.6482   -1.5045   -4.0335 H   0  0  0  0  0
    9.3559   -2.8583   -5.0488 H   0  0  0  0  0
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   13.5690    0.3017   -2.1727 H   0  0  0  0  0
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   10.0733   -5.8934   -2.9928 H   0  0  0  0  0
   11.1825   -7.6955   -4.2350 H   0  0  0  0  0
   12.9557   -7.1728   -5.8893 H   0  0  0  0  0
   13.6133   -4.8159   -6.2911 H   0  0  0  0  0
   12.5070   -2.9899   -5.0738 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  7  8  2  0  0  0
  7 39  1  0  0  0
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  9 14  1  0  0  0
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 32 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1946780

>  <PubChem CID>
56946573

>  <Formula>
C28H32N2O2

>  <Molecular Weight>
428.576000

>  <IUPAC Name>
1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3CCC(O3)(C4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3CCC(O3)(C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H32N2O2/c1-31-27-15-9-8-14-26(27)30-20-18-29(19-21-30)22-25-16-17-28(32-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-15,25H,16-22H2,1H3

>  <InChI Key>
DKZVZJLNJPUMKG-UHFFFAOYSA-N

