
 CHEMBL2397297

 59 63  0  0  0  0  0  0  0  0999 V2000
    7.0497    4.4405    1.9133 C   0  0  0  0  0
    6.5691    3.3341    2.8362 C   0  0  0  0  0
    5.2828    2.8675    2.4310 O   0  0  0  0  0
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    6.4475    3.7509    3.8425 H   0  0  0  0  0
    7.3005    2.5254    2.9382 H   0  0  0  0  0
    3.0611    1.9290    1.6983 H   0  0  0  0  0
    2.6686    0.1106    0.0656 H   0  0  0  0  0
    4.5757   -1.0102   -1.0292 H   0  0  0  0  0
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    5.8554   -2.5051    0.7335 H   0  0  0  0  0
    7.2223   -2.9651    2.6243 H   0  0  0  0  0
    9.3104   -1.2803    2.1169 H   0  0  0  0  0
    7.6545   -0.6802    2.1585 H   0  0  0  0  0
    9.5057   -3.7126    0.7078 H   0  0  0  0  0
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    4.0323   -0.0619   -5.3964 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 31  1  0  0  0
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  2 33  1  0  0  0
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  6  7  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2397297

>  <PubChem CID>
73350551

>  <Formula>
C24H31N3O

>  <Molecular Weight>
377.532000

>  <IUPAC Name>
1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]-4-pyridin-4-ylpiperazine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC1=CC=CC(=C1)C2(C3C2CC(C3)C)N4CCN(CC4)C5=CC=NC=C5

>  <Isomeric SMILES>
CCOC1=CC=CC(=C1)C2(C3C2CC(C3)C)N4CCN(CC4)C5=CC=NC=C5

>  <InChI Std. ID>
InChI=1S/C24H31N3O/c1-3-28-21-6-4-5-19(17-21)24(22-15-18(2)16-23(22)24)27-13-11-26(12-14-27)20-7-9-25-10-8-20/h4-10,17-18,22-23H,3,11-16H2,1-2H3

>  <InChI Key>
BMSWYXABHIZRDE-UHFFFAOYSA-N

