
 CHEMBL2206273

 87 90  0  0  0  0  0  0  0  0999 V2000
    6.5545    0.0990    2.9041 C   0  0  0  0  0
    6.4964    0.7267    1.5179 C   0  0  0  0  0
    5.0496    1.0880    1.1316 C   0  0  0  0  0
    4.9064    1.6670   -0.2148 N   0  0  0  0  0
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    7.1105   -3.9455   -3.5452 C   0  0  0  0  0
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    7.1238    1.6256    1.4969 H   0  0  0  0  0
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    4.4120    0.2043    1.2466 H   0  0  0  0  0
    6.5802    0.9351   -1.2419 H   0  0  0  0  0
    5.2306    1.2868   -2.2673 H   0  0  0  0  0
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    3.9959   -2.7082   -2.6816 H   0  0  0  0  0
    5.2639   -3.3098   -1.6204 H   0  0  0  0  0
    5.4658   -3.0885   -4.6700 H   0  0  0  0  0
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    7.2401   -4.4246   -2.5689 H   0  0  0  0  0
    7.7101   -3.0288   -3.5520 H   0  0  0  0  0
    7.3349   -4.3306   -5.5986 H   0  0  0  0  0
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    9.3349   -4.8371   -2.6121 H   0  0  0  0  0
   10.6199   -5.6637   -3.3673 H   0  0  0  0  0
    9.2485   -7.7652   -3.5359 H   0  0  0  0  0
    7.8626   -6.9255   -2.8369 H   0  0  0  0  0
   10.5523   -7.3081   -1.4326 H   0  0  0  0  0
    9.0835   -8.2586   -1.1477 H   0  0  0  0  0
    9.1112   -6.5351   -0.7399 H   0  0  0  0  0
    8.8484   -7.0187   -5.6732 H   0  0  0  0  0
   11.2999   -6.7602   -4.9554 H   0  0  0  0  0
   11.4493   -5.4676   -6.1427 H   0  0  0  0  0
   10.8439   -8.4293   -6.5526 H   0  0  0  0  0
   12.2474   -7.5020   -7.1113 H   0  0  0  0  0
    9.3810   -4.4671   -7.2962 H   0  0  0  0  0
    7.8828   -5.4176   -7.2434 H   0  0  0  0  0
    8.0018   -5.3420   -9.6967 H   0  0  0  0  0
    8.6493   -6.6666  -11.6768 H   0  0  0  0  0
   10.4238   -8.3889  -11.4856 H   0  0  0  0  0
   12.0293   -9.1423   -8.4816 H   0  0  0  0  0
    3.6452    2.7075   -1.5066 H   0  0  0  0  0
    3.7915    4.0151    0.5928 H   0  0  0  0  0
    2.8350    2.7819    1.4238 H   0  0  0  0  0
    1.9655    4.5114   -0.9358 H   0  0  0  0  0
    1.3713    4.5379    0.7334 H   0  0  0  0  0
    2.5260    0.3461    0.0576 H   0  0  0  0  0
    2.6450    0.6001   -1.7033 H   0  0  0  0  0
    0.3274   -0.3907   -1.3711 H   0  0  0  0  0
   -2.0465    0.2745   -1.4763 H   0  0  0  0  0
   -2.6939    2.6143   -0.9692 H   0  0  0  0  0
   -0.3831    5.1165   -0.2469 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
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  1 40  1  0  0  0
  2  3  1  0  0  0
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  7  8  1  0  0  0
  7 49  1  0  0  0
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2206273

>  <PubChem CID>
71459664

>  <Formula>
C33H50N2O2

>  <Molecular Weight>
506.775000

>  <IUPAC Name>
(6S)-6-[7-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]heptyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol

>  <XlogP>
8.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN(CCCCCCCN(CCC)C1CCC2=C(C1)C=CC=C2O)C3CCC4=C(C3)C=CC=C4O

>  <Isomeric SMILES>
CCCN(CCCCCCCN(CCC)[C@H]1CCC2=C(C1)C=CC=C2O)[C@H]3CCC4=C(C3)C=CC=C4O

>  <InChI Std. ID>
InChI=1S/C33H50N2O2/c1-3-20-34(28-16-18-30-26(24-28)12-10-14-32(30)36)22-8-6-5-7-9-23-35(21-4-2)29-17-19-31-27(25-29)13-11-15-33(31)37/h10-15,28-29,36-37H,3-9,16-25H2,1-2H3/t28-,29-/m0/s1

>  <InChI Key>
CIDCPLKTGCFTOZ-VMPREFPWSA-N

