
 CHEMBL457024

 64 67  0  0  0  0  0  0  0  0999 V2000
    0.9462   -0.2454   -0.1710 C   0  0  0  0  0
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    3.8509    1.9623   -5.3038 C   0  0  0  0  0
    4.0841    3.4597   -5.6363 C   0  0  0  0  0
    5.5238    3.7661   -5.7751 N   0  0  0  0  0
    6.3693    3.2260   -4.6952 C   0  0  0  0  0
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    4.2613    3.4082    1.6799 C   0  0  0  0  0
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    4.1576    5.9074    1.4207 C   0  0  0  0  0
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    4.3536    7.4783    3.2738 O   0  0  0  0  0
    0.7154   -1.2882   -0.4088 H   0  0  0  0  0
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    0.6966   -0.0732    0.8809 H   0  0  0  0  0
    2.6287   -0.2077   -1.4824 H   0  0  0  0  0
    3.0335   -0.6079    0.1910 H   0  0  0  0  0
    2.4285    1.7009    0.8809 H   0  0  0  0  0
    2.1197    2.1525   -0.7854 H   0  0  0  0  0
    4.8245    0.3934   -1.6322 H   0  0  0  0  0
    5.8274    1.8042   -1.5735 H   0  0  0  0  0
    4.1521    3.0941   -2.9105 H   0  0  0  0  0
    3.0322    1.7506   -2.8366 H   0  0  0  0  0
    2.7792    1.7877   -5.1469 H   0  0  0  0  0
    4.1206    1.3622   -6.1829 H   0  0  0  0  0
    3.5104    3.7118   -6.5363 H   0  0  0  0  0
    3.6768    4.0891   -4.8364 H   0  0  0  0  0
    7.4368    3.3474   -4.9147 H   0  0  0  0  0
    6.1877    3.8275   -3.7960 H   0  0  0  0  0
    6.3756    1.1271   -5.2308 H   0  0  0  0  0
    6.6677    1.4060   -3.5443 H   0  0  0  0  0
    7.4590    2.2369   -6.9748 H   0  0  0  0  0
    8.2350    2.4636   -9.2797 H   0  0  0  0  0
    7.2661    4.1901  -10.7754 H   0  0  0  0  0
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    4.7162    5.4988   -7.5906 H   0  0  0  0  0
    5.6258    3.3158    0.0771 H   0  0  0  0  0
    4.7527    2.6080    2.2474 H   0  0  0  0  0
    3.1885    3.3518    1.8982 H   0  0  0  0  0
    5.8668    4.8146    2.0717 H   0  0  0  0  0
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    2.9352    4.1293   -1.0130 H   0  0  0  0  0
    4.5717    4.5868   -1.5032 H   0  0  0  0  0
    2.8696    6.6410   -1.6655 H   0  0  0  0  0
    2.5052    8.8263   -0.5830 H   0  0  0  0  0
    3.2173    9.1758    1.7668 H   0  0  0  0  0
    4.9500    6.7904    3.6016 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
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  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  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
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL457024

>  <PubChem CID>
24754542

>  <Formula>
C25H35N3O

>  <Molecular Weight>
393.575000

>  <IUPAC Name>
(6S)-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-/m0/s1

>  <InChI Key>
ACDYFMOSSUKHJD-QHCPKHFHSA-N

