
 CHEMBL1254862

 73 77  0  0  0  0  0  0  0  0999 V2000
    8.6274    1.9355    0.1378 C   0  0  0  0  0
    8.2339    0.4855    0.3750 C   0  0  0  0  0
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    5.4345   -1.1356   -1.1245 C   0  0  0  0  0
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    3.6944   -3.5756   -1.9171 C   0  0  0  0  0
    2.4918   -2.8346   -2.3748 N   0  0  0  0  0
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    1.4128   -1.7899    4.1895 C   0  0  0  0  0
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    1.7933    0.5291    4.7115 C   0  0  0  0  0
    0.8279   -2.9978    4.4233 O   0  0  0  0  0
    9.5873    1.9813   -0.3882 H   0  0  0  0  0
    8.7380    2.4715    1.0868 H   0  0  0  0  0
    7.8865    2.4619   -0.4717 H   0  0  0  0  0
    9.0263    0.0050    0.9635 H   0  0  0  0  0
    8.2036   -0.0466   -0.5811 H   0  0  0  0  0
    7.0642    0.8164    2.1070 H   0  0  0  0  0
    6.7602   -0.7366    1.3548 H   0  0  0  0  0
    6.2768    0.8121   -1.5483 H   0  0  0  0  0
    4.5681    0.8664   -1.2650 H   0  0  0  0  0
    4.6687   -1.5615   -0.4815 H   0  0  0  0  0
    6.3837   -1.5687   -0.7905 H   0  0  0  0  0
    5.8657   -3.5664   -2.0532 H   0  0  0  0  0
    5.0567   -3.3917   -3.5903 H   0  0  0  0  0
    3.6055   -4.6324   -2.1976 H   0  0  0  0  0
    3.7677   -3.5220   -0.8237 H   0  0  0  0  0
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    2.5636   -0.8631   -1.5915 H   0  0  0  0  0
    4.0456   -1.3440   -4.2221 H   0  0  0  0  0
    4.1410    0.0813   -3.2418 H   0  0  0  0  0
    1.9089   -5.1063   -0.9432 H   0  0  0  0  0
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    0.0823   -1.5646   -2.6028 H   0  0  0  0  0
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   -5.9059   -5.4749    1.5530 H   0  0  0  0  0
   -5.9762   -4.4052   -0.7022 H   0  0  0  0  0
   -3.8481   -3.7507   -1.7803 H   0  0  0  0  0
    3.7396    1.4901    0.7274 H   0  0  0  0  0
    5.0831    2.7671    2.3472 H   0  0  0  0  0
    5.3820    1.2969    3.2827 H   0  0  0  0  0
    2.6569    2.5598    2.7184 H   0  0  0  0  0
    3.5269    2.5117    4.2580 H   0  0  0  0  0
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    2.4547   -2.5677    2.4904 H   0  0  0  0  0
    0.4847   -0.7482    5.8417 H   0  0  0  0  0
    1.5890    1.3918    5.3422 H   0  0  0  0  0
    0.2306   -2.9093    5.1838 H   0  0  0  0  0
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  1 36  1  0  0  0
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  2  3  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1254862

>  <PubChem CID>
52949517

>  <Formula>
C30H38N4O

>  <Molecular Weight>
470.661000

>  <IUPAC Name>
7-[propyl-[2-[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(CCN1CCN(CC1)C2=CC=C(C=C2)C3=CN=CC=C3)C4CCC5=C(C4)C=C(C=C5)O

>  <Isomeric SMILES>
CCCN(CCN1CCN(CC1)C2=CC=C(C=C2)C3=CN=CC=C3)C4CCC5=C(C4)C=C(C=C5)O

>  <InChI Std. ID>
InChI=1S/C30H38N4O/c1-2-14-33(29-11-7-25-8-12-30(35)22-27(25)21-29)18-15-32-16-19-34(20-17-32)28-9-5-24(6-10-28)26-4-3-13-31-23-26/h3-6,8-10,12-13,22-23,29,35H,2,7,11,14-21H2,1H3

>  <InChI Key>
BEZGSFSQVUCZFC-UHFFFAOYSA-N

