
 CHEMBL250552

 64 67  0  0  0  0  0  0  0  0999 V2000
    0.7458   -0.1469    0.0220 C   0  0  0  0  0
    2.2616   -0.0446   -0.0992 C   0  0  0  0  0
    2.7048    1.4262   -0.1314 C   0  0  0  0  0
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    6.3141    1.1274   -1.5280 C   0  0  0  0  0
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    6.3526    0.8420   -3.9850 C   0  0  0  0  0
    6.7551    2.2816   -4.3850 C   0  0  0  0  0
    8.2151    2.4571   -4.3169 N   0  0  0  0  0
    8.8680    1.9403   -3.1034 C   0  0  0  0  0
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    8.4713    3.6660   -6.3951 C   0  0  0  0  0
    9.1388    3.9212   -7.5963 C   0  0  0  0  0
   10.2661    3.1803   -7.9310 C   0  0  0  0  0
   10.7195    2.1942   -7.0618 C   0  0  0  0  0
   10.0465    1.9481   -5.8592 C   0  0  0  0  0
    4.5091    3.1181   -0.1484 C   0  0  0  0  0
    3.9985    3.8281    1.1175 C   0  0  0  0  0
    4.6040    5.2303    1.2265 C   0  0  0  0  0
    4.4746    6.0519   -0.0334 C   0  0  0  0  0
    4.2535    5.4191   -1.2729 C   0  0  0  0  0
    4.0586    3.9254   -1.3883 C   0  0  0  0  0
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    4.2394    7.5753   -2.3986 C   0  0  0  0  0
    4.4795    8.2049   -1.1832 C   0  0  0  0  0
    4.6090    7.4499   -0.0188 C   0  0  0  0  0
    4.8693    8.1630    1.1181 O   0  0  0  0  0
    0.4345   -1.1957    0.0328 H   0  0  0  0  0
    0.2536    0.3430   -0.8253 H   0  0  0  0  0
    0.3905    0.3253    0.9433 H   0  0  0  0  0
    2.5537   -0.5629   -1.0183 H   0  0  0  0  0
    2.7321   -0.5630    0.7437 H   0  0  0  0  0
    2.3046    1.8842    0.7794 H   0  0  0  0  0
    2.2062    1.9059   -0.9808 H   0  0  0  0  0
    4.2528    1.2498   -2.2507 H   0  0  0  0  0
    4.6252   -0.1251   -1.2125 H   0  0  0  0  0
    6.7965    0.7667   -0.6098 H   0  0  0  0  0
    6.5619    2.1869   -1.6198 H   0  0  0  0  0
    5.2640    0.7378   -4.0283 H   0  0  0  0  0
    6.7271    0.1531   -4.7549 H   0  0  0  0  0
    6.3513    2.4753   -5.3856 H   0  0  0  0  0
    6.2861    3.0107   -3.7170 H   0  0  0  0  0
    9.9605    1.9284   -3.1862 H   0  0  0  0  0
    8.6510    2.6370   -2.2844 H   0  0  0  0  0
    8.7428   -0.1913   -3.4575 H   0  0  0  0  0
    8.7908    0.2279   -1.7620 H   0  0  0  0  0
    7.6120    4.2835   -6.1426 H   0  0  0  0  0
    8.7804    4.7030   -8.2594 H   0  0  0  0  0
   10.7901    3.3735   -8.8625 H   0  0  0  0  0
   11.5994    1.6078   -7.3178 H   0  0  0  0  0
   10.4195    1.1525   -5.2220 H   0  0  0  0  0
    5.6017    3.1876   -0.0741 H   0  0  0  0  0
    4.2623    3.2550    2.0146 H   0  0  0  0  0
    2.9059    3.9230    1.0972 H   0  0  0  0  0
    5.6700    5.1507    1.4743 H   0  0  0  0  0
    4.1051    5.7392    2.0596 H   0  0  0  0  0
    2.9919    3.7700   -1.5827 H   0  0  0  0  0
    4.6051    3.5724   -2.2686 H   0  0  0  0  0
    3.9380    5.7051   -3.3994 H   0  0  0  0  0
    4.1367    8.1622   -3.3068 H   0  0  0  0  0
    4.5704    9.2868   -1.1402 H   0  0  0  0  0
    5.1202    7.5552    1.8294 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
  3 35  1  0  0  0
  3 36  1  0  0  0
  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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  9 10  1  0  0  0
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 29 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL250552

>  <PubChem CID>
24742011

>  <Formula>
C25H35N3O

>  <Molecular Weight>
393.575000

>  <IUPAC Name>
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)C3CCC4=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

>  <InChI Key>
ACDYFMOSSUKHJD-UHFFFAOYSA-N

