
 CHEMBL63063

 52 55  0  0  0  0  0  0  0  0999 V2000
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    2.3449    0.2269    0.3439 N   0  0  0  0  0
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    3.9662   -2.8933   -1.6679 C   0  0  0  0  0
    4.1940   -4.2605   -1.4652 C   0  0  0  0  0
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    5.9941   -2.4175   -0.4754 C   0  0  0  0  0
    6.7227   -1.3210   -0.0972 N   0  0  0  0  0
    6.8618    5.8105   -1.3195 O   0  0  0  0  0
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    4.5590    6.3732    0.3682 O   0  0  0  0  0
    3.1403    6.5067    0.3758 C   0  0  0  0  0
    0.8331   -0.2445    1.7534 H   0  0  0  0  0
    0.6979   -1.1042    0.2319 H   0  0  0  0  0
    0.2447    0.6149    0.3112 H   0  0  0  0  0
    2.1152    1.5850    1.9283 H   0  0  0  0  0
    2.3670    2.3481    0.3821 H   0  0  0  0  0
    4.6687    0.6391    1.4269 H   0  0  0  0  0
    4.1933    1.8894    2.5075 H   0  0  0  0  0
    3.6096    4.1763    1.5165 H   0  0  0  0  0
    7.5195    3.4278   -1.3810 H   0  0  0  0  0
    7.3396    1.0369    0.7800 H   0  0  0  0  0
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    5.4761   -5.7598   -0.6159 H   0  0  0  0  0
    7.1196   -4.1197    0.2778 H   0  0  0  0  0
    7.5925   -1.3741    0.4113 H   0  0  0  0  0
    7.7185    7.6623   -1.2730 H   0  0  0  0  0
    7.0830    7.1348    0.2884 H   0  0  0  0  0
    5.9763    7.6739   -1.0422 H   0  0  0  0  0
    2.9089    7.5730    0.3138 H   0  0  0  0  0
    2.7092    6.1360    1.3099 H   0  0  0  0  0
    2.6885    6.0107   -0.4904 H   0  0  0  0  0
  1  2  1  0  0  0
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  5 10  1  0  0  0
  6  7  1  0  0  0
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  7  8  2  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL63063

>  <PubChem CID>
10807793

>  <Formula>
C22H26N2O2

>  <Molecular Weight>
350.462000

>  <IUPAC Name>


>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCC2=CC(=C(C=C2CC3=C(CC1)C4=CC=CC=C4N3)OC)OC

>  <Isomeric SMILES>
CN1CCC2=CC(=C(C=C2CC3=C(CC1)C4=CC=CC=C4N3)OC)OC

>  <InChI Std. ID>
InChI=1S/C22H26N2O2/c1-24-10-8-15-13-21(25-2)22(26-3)14-16(15)12-20-18(9-11-24)17-6-4-5-7-19(17)23-20/h4-7,13-14,23H,8-12H2,1-3H3

>  <InChI Key>
ILLDXVCWSLGVJR-UHFFFAOYSA-N

