
 CHEMBL457025

 64 67  0  0  0  0  0  0  0  0999 V2000
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    2.7246    1.4542   -0.1776 C   0  0  0  0  0
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    6.4615    0.9713   -3.9694 C   0  0  0  0  0
    6.8683    2.4192   -4.3377 C   0  0  0  0  0
    8.3260    2.6098   -4.2236 N   0  0  0  0  0
    8.9376    2.0758   -2.9948 C   0  0  0  0  0
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   10.4693    3.0053   -7.8364 C   0  0  0  0  0
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    3.9622    3.8831    1.0883 C   0  0  0  0  0
    4.5613    5.2881    1.2044 C   0  0  0  0  0
    4.4710    6.0997   -0.0660 C   0  0  0  0  0
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    4.5227    8.2420   -1.2348 C   0  0  0  0  0
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    4.8363    8.2207    1.0777 O   0  0  0  0  0
    0.5081   -1.2097    0.0508 H   0  0  0  0  0
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    0.4004    0.3565    0.8751 H   0  0  0  0  0
    2.6439   -0.5787   -0.9717 H   0  0  0  0  0
    2.7661   -0.4893    0.7919 H   0  0  0  0  0
    2.2879    1.9432    0.6994 H   0  0  0  0  0
    2.2454    1.8895   -1.0619 H   0  0  0  0  0
    4.3078    1.2857   -2.2629 H   0  0  0  0  0
    4.6900   -0.0760   -1.2125 H   0  0  0  0  0
    6.8340    0.8494   -0.5860 H   0  0  0  0  0
    6.5882    2.2737   -1.5862 H   0  0  0  0  0
    5.3742    0.8661   -4.0393 H   0  0  0  0  0
    6.8555    0.2957   -4.7412 H   0  0  0  0  0
    6.4897    2.6338   -5.3442 H   0  0  0  0  0
    6.3764    3.1333   -3.6704 H   0  0  0  0  0
   10.0328    2.0869   -3.0369 H   0  0  0  0  0
    8.6786    2.7539   -2.1726 H   0  0  0  0  0
    8.8462   -0.0517   -3.3963 H   0  0  0  0  0
    8.8445    0.3349   -1.6928 H   0  0  0  0  0
    7.8712    4.3677   -6.1460 H   0  0  0  0  0
    9.0971    4.6085   -8.2609 H   0  0  0  0  0
   11.0202    3.1203   -8.7658 H   0  0  0  0  0
   11.6838    1.3768   -7.1273 H   0  0  0  0  0
   10.4506    1.1050   -5.0333 H   0  0  0  0  0
    5.5998    3.2466   -0.0554 H   0  0  0  0  0
    4.2020    3.3164    1.9963 H   0  0  0  0  0
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    5.6193    5.2117    1.4855 H   0  0  0  0  0
    4.0369    5.8031    2.0175 H   0  0  0  0  0
    3.0201    3.8080   -1.6240 H   0  0  0  0  0
    4.6442    3.6014   -2.2809 H   0  0  0  0  0
    4.0436    5.7243   -3.4448 H   0  0  0  0  0
    4.2532    8.1810   -3.3682 H   0  0  0  0  0
    4.6169    9.3237   -1.1984 H   0  0  0  0  0
    5.0586    7.6189    1.8033 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
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  4 19  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL457025

>  <PubChem CID>
24754478

>  <Formula>
C25H35N3O

>  <Molecular Weight>
393.575000

>  <IUPAC Name>
(6R)-6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN(CCN1CCN(CC1)C2=CC=CC=C2)C3CCC4=C(C3)C=CC=C4O

>  <Isomeric SMILES>
CCCN(CCN1CCN(CC1)C2=CC=CC=C2)[C@@H]3CCC4=C(C3)C=CC=C4O

>  <InChI Std. ID>
InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3/t23-/m1/s1

>  <InChI Key>
ACDYFMOSSUKHJD-HSZRJFAPSA-N

