
 CHEMBL92990

 62 66  0  0  0  0  0  0  0  0999 V2000
    7.2748    5.3946    5.7224 C   0  0  0  0  0
    6.9831    4.2762    4.8910 O   0  0  0  0  0
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    4.0977    9.5995    0.1721 C   0  0  0  0  0
    4.1574    9.0479    1.4516 C   0  0  0  0  0
    4.1083    7.6766    1.3161 N   0  0  0  0  0
    4.2470    9.8344    2.6022 C   0  0  0  0  0
    4.2792   11.2272    2.4413 C   0  0  0  0  0
    4.2118   11.8322    1.1818 C   0  0  0  0  0
    4.1212   11.0029    0.0424 C   0  0  0  0  0
    4.2708   13.3415    0.9686 C   0  0  0  0  0
    3.4133   14.1943    1.9263 C   0  0  0  0  0
    4.0894   14.6246    3.2290 C   0  0  0  0  0
    5.5089   15.1342    3.0191 C   0  0  0  0  0
    6.3528   14.1428    2.2291 C   0  0  0  0  0
    5.7215   13.8448    0.8730 C   0  0  0  0  0
    5.4403    2.5521    3.6112 O   0  0  0  0  0
    5.2719    1.3546    2.8617 C   0  0  0  0  0
    7.0137    5.1220    6.7506 H   0  0  0  0  0
    6.6848    6.2819    5.4614 H   0  0  0  0  0
    8.3465    5.6166    5.6900 H   0  0  0  0  0
    4.8409    3.2083    1.0550 H   0  0  0  0  0
    7.2402    6.7776    1.0564 H   0  0  0  0  0
    7.8888    6.3637    3.3756 H   0  0  0  0  0
    5.5283    4.3832   -1.0757 H   0  0  0  0  0
    6.2545    5.9746   -0.9993 H   0  0  0  0  0
    3.4083    5.3342    0.0223 H   0  0  0  0  0
    2.8627    8.7914   -2.4850 H   0  0  0  0  0
    4.5744    9.2001   -2.6898 H   0  0  0  0  0
    3.7404    7.0003   -3.7833 H   0  0  0  0  0
    5.2349    6.9078   -2.8704 H   0  0  0  0  0
    3.7431    5.0867   -2.3988 H   0  0  0  0  0
    4.1415    7.0203    2.0823 H   0  0  0  0  0
    4.2945    9.3900    3.5904 H   0  0  0  0  0
    4.3682   11.8248    3.3413 H   0  0  0  0  0
    4.0792   11.4380   -0.9524 H   0  0  0  0  0
    3.8228   13.5074   -0.0230 H   0  0  0  0  0
    2.4642   13.6923    2.1501 H   0  0  0  0  0
    3.1470   15.1160    1.3899 H   0  0  0  0  0
    3.4892   15.4128    3.6997 H   0  0  0  0  0
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    5.9775   15.3258    3.9910 H   0  0  0  0  0
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    6.4789   13.2172    2.8019 H   0  0  0  0  0
    5.7253   14.7735    0.2864 H   0  0  0  0  0
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    5.2072    0.5231    3.5701 H   0  0  0  0  0
    6.1248    1.1639    2.2002 H   0  0  0  0  0
    4.3362    1.3813    2.2951 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 32  1  0  0  0
  1 33  1  0  0  0
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  5  6  2  0  0  0
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  6  9  1  0  0  0
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  7 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL92990

>  <PubChem CID>
10716225

>  <Formula>
C26H32N2O2

>  <Molecular Weight>
404.554000

>  <IUPAC Name>
6-cyclohexyl-1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=C(C=C(C=C1)CC2C3=C(CCN2)C4=C(N3)C=CC(=C4)C5CCCCC5)OC

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)CC2C3=C(CCN2)C4=C(N3)C=CC(=C4)C5CCCCC5)OC

>  <InChI Std. ID>
InChI=1S/C26H32N2O2/c1-29-24-11-8-17(15-25(24)30-2)14-23-26-20(12-13-27-23)21-16-19(9-10-22(21)28-26)18-6-4-3-5-7-18/h8-11,15-16,18,23,27-28H,3-7,12-14H2,1-2H3

>  <InChI Key>
BNKIQBGUWLBPAV-UHFFFAOYSA-N

