
 CHEMBL1289723

 52 56  0  0  0  0  0  0  0  0999 V2000
    1.1920    0.2382    0.2285 C   0  0  0  0  0
    2.6260    0.3805    0.1039 N   0  0  0  0  0
    3.3050    1.5666    0.0021 C   0  0  0  0  0
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    4.9584    3.7217   -0.5316 C   0  0  0  0  0
    3.7666    3.9327    0.3237 N   0  0  0  0  0
    2.7199    2.9380    0.0190 C   0  0  0  0  0
    4.7942   -0.1313   -0.1256 C   0  0  0  0  0
    3.5223   -0.6760    0.0614 C   0  0  0  0  0
    3.3231   -2.0689    0.1798 C   0  0  0  0  0
    4.4233   -2.9501    0.0893 C   0  0  0  0  0
    5.6889   -2.3877   -0.1280 C   0  0  0  0  0
    5.8903   -1.0013   -0.2266 C   0  0  0  0  0
    4.2350   -4.3907    0.2020 N   0  0  0  0  0
    2.9947   -4.9748   -0.0684 C   0  0  0  0  0
    2.7740   -6.2918    0.0255 C   0  0  0  0  0
    3.8349   -7.1905    0.4024 C   0  0  0  0  0
    5.0463   -6.6838    0.6690 C   0  0  0  0  0
    5.3114   -5.2174    0.6099 C   0  0  0  0  0
    6.4385   -4.8640    0.9543 O   0  0  0  0  0
    3.6594   -8.6480    0.4889 C   0  0  0  0  0
    3.8307   -9.4471   -0.6472 C   0  0  0  0  0
    3.6684  -10.8355   -0.5707 C   0  0  0  0  0
    3.3303  -11.4359    0.6425 C   0  0  0  0  0
    3.1540  -10.6361    1.7748 C   0  0  0  0  0
    3.3159   -9.2500    1.7026 C   0  0  0  0  0
    3.1446  -12.7742    0.8538 O   0  0  0  0  0
    3.3220  -13.6331   -0.2657 C   0  0  0  0  0
    0.8651   -0.6276   -0.3534 H   0  0  0  0  0
    0.6963    1.1292   -0.1641 H   0  0  0  0  0
    0.9543    0.1046    1.2865 H   0  0  0  0  0
    6.2397    2.4152    0.6440 H   0  0  0  0  0
    6.3542    2.1507   -1.1054 H   0  0  0  0  0
    5.6739    4.5305   -0.3448 H   0  0  0  0  0
    4.6626    3.8066   -1.5852 H   0  0  0  0  0
    4.0504    3.7801    1.2920 H   0  0  0  0  0
    1.9343    3.0186    0.7775 H   0  0  0  0  0
    2.2680    3.1655   -0.9533 H   0  0  0  0  0
    2.3245   -2.4306    0.3898 H   0  0  0  0  0
    6.5713   -3.0083   -0.2556 H   0  0  0  0  0
    6.8923   -0.6125   -0.3826 H   0  0  0  0  0
    2.1874   -4.3356   -0.4033 H   0  0  0  0  0
    1.7978   -6.7086   -0.2026 H   0  0  0  0  0
    5.8937   -7.2974    0.9537 H   0  0  0  0  0
    4.0972   -8.9951   -1.6004 H   0  0  0  0  0
    3.8157  -11.4158   -1.4751 H   0  0  0  0  0
    2.8909  -11.0980    2.7235 H   0  0  0  0  0
    3.1755   -8.6496    2.5984 H   0  0  0  0  0
    3.1441  -14.6595    0.0689 H   0  0  0  0  0
    4.3475  -13.5799   -0.6459 H   0  0  0  0  0
    2.5954  -13.4089   -1.0534 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 10  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
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 11 40  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
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 15 16  1  0  0  0
 15 20  1  0  0  0
 16 17  2  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
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 20 21  2  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
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 24 25  2  0  0  0
 24 47  1  0  0  0
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 29 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1289723

>  <PubChem CID>
52941152

>  <Formula>
C24H23N3O2

>  <Molecular Weight>
385.467000

>  <IUPAC Name>
4-(4-methoxyphenyl)-1-(9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-7-yl)pyridin-2-one

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1C2=C(CCNC2)C3=C1C=C(C=C3)N4C=CC(=CC4=O)C5=CC=C(C=C5)OC

>  <Isomeric SMILES>
CN1C2=C(CCNC2)C3=C1C=C(C=C3)N4C=CC(=CC4=O)C5=CC=C(C=C5)OC

>  <InChI Std. ID>
InChI=1S/C24H23N3O2/c1-26-22-14-18(5-8-20(22)21-9-11-25-15-23(21)26)27-12-10-17(13-24(27)28)16-3-6-19(29-2)7-4-16/h3-8,10,12-14,25H,9,11,15H2,1-2H3

>  <InChI Key>
AHDBPAJCLCZWMX-UHFFFAOYSA-N

