
 CHEMBL128945

 54 57  0  0  0  0  0  0  0  0999 V2000
    0.9217   -0.1693    0.0282 C   0  0  0  0  0
    2.3673   -0.1798    0.0366 N   0  0  0  0  0
    3.1480    0.9440    0.0638 C   0  0  0  0  0
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    2.7040    2.3639    0.0760 C   0  0  0  0  0
    6.2118    3.8950   -0.0071 C   0  0  0  0  0
    7.5020    3.6514   -0.8022 C   0  0  0  0  0
    8.5721    4.6910   -0.4681 C   0  0  0  0  0
    9.8771    4.3791   -1.2044 C   0  0  0  0  0
   10.9818    5.3174   -0.7937 C   0  0  0  0  0
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   12.8462    5.8696    0.6540 C   0  0  0  0  0
   13.0095    7.0963    0.0074 C   0  0  0  0  0
   12.1554    7.4332   -1.0421 C   0  0  0  0  0
   11.1456    6.5486   -1.4386 C   0  0  0  0  0
   14.0293    7.8674    0.4939 O   0  0  0  0  0
   14.2196    9.1362   -0.1189 C   0  0  0  0  0
    4.5034   -0.8571    0.0090 C   0  0  0  0  0
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    3.1752   -1.3042    0.0163 C   0  0  0  0  0
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    0.5851    0.4647   -0.7964 H   0  0  0  0  0
    0.5778    0.2309    0.9851 H   0  0  0  0  0
    6.0532    1.5173    1.0728 H   0  0  0  0  0
    6.3591    1.1908   -0.6516 H   0  0  0  0  0
    4.0891    3.2221    1.5208 H   0  0  0  0  0
    3.6305    4.3026    0.2024 H   0  0  0  0  0
    1.8993    2.5211    0.8018 H   0  0  0  0  0
    2.3269    2.6327   -0.9175 H   0  0  0  0  0
    6.4380    3.9146    1.0675 H   0  0  0  0  0
    5.8398    4.8933   -0.2731 H   0  0  0  0  0
    7.2854    3.6733   -1.8770 H   0  0  0  0  0
    7.9138    2.6636   -0.5713 H   0  0  0  0  0
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    8.2165    5.6937   -0.7368 H   0  0  0  0  0
    9.7248    4.4417   -2.2890 H   0  0  0  0  0
   10.1894    3.3464   -1.0035 H   0  0  0  0  0
   11.7298    4.0393    0.7852 H   0  0  0  0  0
   13.5077    5.6009    1.4740 H   0  0  0  0  0
   12.2431    8.3728   -1.5733 H   0  0  0  0  0
   10.4844    6.8293   -2.2561 H   0  0  0  0  0
   15.0577    9.6280    0.3841 H   0  0  0  0  0
   13.3366    9.7718    0.0067 H   0  0  0  0  0
   14.4828    9.0280   -1.1763 H   0  0  0  0  0
    6.5831   -1.4799   -0.0280 H   0  0  0  0  0
    6.0490   -3.8977   -0.0599 H   0  0  0  0  0
    3.6994   -4.6596   -0.0387 H   0  0  0  0  0
    1.8397   -3.0278    0.0096 H   0  0  0  0  0
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  3  4  2  0  0  0
  4 21  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
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  9 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL128945

>  <PubChem CID>
10405482

>  <Formula>
C23H28N2O

>  <Molecular Weight>
348.490000

>  <IUPAC Name>
2-[4-(4-methoxyphenyl)butyl]-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1C2=C(CN(CC2)CCCCC3=CC=C(C=C3)OC)C4=CC=CC=C41

>  <Isomeric SMILES>
CN1C2=C(CN(CC2)CCCCC3=CC=C(C=C3)OC)C4=CC=CC=C41

>  <InChI Std. ID>
InChI=1S/C23H28N2O/c1-24-22-9-4-3-8-20(22)21-17-25(16-14-23(21)24)15-6-5-7-18-10-12-19(26-2)13-11-18/h3-4,8-13H,5-7,14-17H2,1-2H3

>  <InChI Key>
SZILRACVCKXHFI-UHFFFAOYSA-N

