
 CHEMBL380330

 44 46  0  0  0  0  0  0  0  0999 V2000
    2.1913   -0.8246    0.4947 C   0  0  0  0  0
    3.4620   -0.1051    0.6966 N   0  0  0  0  0
    3.1427    1.3057    1.0310 C   0  0  0  0  0
    4.3035    2.1379    1.6143 C   0  0  0  0  0
    4.8613    3.1762    0.6595 C   0  0  0  0  0
    4.0981    4.3370    0.4279 C   0  0  0  0  0
    4.5423    5.3312   -0.4424 C   0  0  0  0  0
    5.7575    5.1826   -1.0984 C   0  0  0  0  0
    6.5277    4.0408   -0.8825 C   0  0  0  0  0
    6.0967    3.0265   -0.0059 C   0  0  0  0  0
    6.9785    1.8146    0.1824 C   0  0  0  0  0
    6.3976    0.5608   -0.3938 C   0  0  0  0  0
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    6.2052   -1.1719   -0.6827 C   0  0  0  0  0
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    5.0159   -2.1939    0.0984 C   0  0  0  0  0
    4.7319   -2.3254   -1.6146 C   0  0  0  0  0
    5.2928   -1.0683   -2.6599 C   0  0  0  0  0
    6.0666    0.3724   -2.1048 C   0  0  0  0  0
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    3.1437    4.4715    0.9339 H   0  0  0  0  0
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    7.4771    3.9452   -1.4058 H   0  0  0  0  0
    7.1908    1.6772    1.2487 H   0  0  0  0  0
    7.9566    1.9718   -0.2883 H   0  0  0  0  0
    6.6163   -2.2554   -0.7513 H   0  0  0  0  0
    7.2556   -0.9068   -1.0897 H   0  0  0  0  0
    4.3809    0.8298   -0.9155 H   0  0  0  0  0
    3.6287   -0.5498   -1.3655 H   0  0  0  0  0
    4.5998   -2.9014    0.8080 H   0  0  0  0  0
    5.0958   -1.1401   -3.7284 H   0  0  0  0  0
    6.3267    1.1667   -2.7992 H   0  0  0  0  0
    3.3165   -4.4634   -3.6150 H   0  0  0  0  0
    4.8133   -3.5805   -3.9384 H   0  0  0  0  0
    3.2392   -2.7062   -3.7910 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 23  1  0  0  0
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  3 26  1  0  0  0
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  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
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  9 32  1  0  0  0
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 21 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL380330

>  <PubChem CID>
44408818

>  <Formula>
C19H23NO

>  <Molecular Weight>
281.399000

>  <IUPAC Name>


>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCC2=CC=CC=C2CC3=C(CC1)C=C(C=C3)OC

>  <Isomeric SMILES>
CN1CCC2=CC=CC=C2CC3=C(CC1)C=C(C=C3)OC

>  <InChI Std. ID>
InChI=1S/C19H23NO/c1-20-11-9-15-5-3-4-6-16(15)13-17-7-8-19(21-2)14-18(17)10-12-20/h3-8,14H,9-13H2,1-2H3

>  <InChI Key>
ATCJEKKXEJVYOB-UHFFFAOYSA-N

