
 CHEMBL2164835

 58 61  0  0  0  0  0  0  0  0999 V2000
    1.2794    1.2784    1.2317 C   0  0  0  0  0
    2.5518    1.1803    0.4343 C   0  0  0  0  0
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    7.8388   -0.8324   -1.2671 O   0  0  0  0  0
    6.1149    0.6749   -1.6178 N   0  0  0  0  0
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    7.4376    1.6819    3.3739 C   0  0  0  0  0
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    9.3267    1.5602    4.7347 O   0  0  0  0  0
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    5.8701   -1.9528    0.5655 N   0  0  0  0  0
    5.2733   -2.5953    1.6303 C   0  0  0  0  0
    4.7610   -1.9942    2.5667 O   0  0  0  0  0
    5.3275   -4.1331    1.5094 C   0  0  0  0  0
    4.7736   -4.8202    2.6945 N   0  0  0  0  0
    4.5778   -6.2610    2.4395 C   0  0  0  0  0
    5.8738   -7.1077    2.4452 C   0  0  0  0  0
    6.7296   -6.9335    3.6349 N   0  0  0  0  0
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    5.6181   -4.6519    3.8981 C   0  0  0  0  0
    6.1692   -7.6221    4.7986 C   0  0  0  0  0
    1.4914    2.9237   -1.3975 Cl  0  0  0  0  0
    1.1414    2.2980    1.6047 H   0  0  0  0  0
    1.2962    0.6073    2.0974 H   0  0  0  0  0
    0.4201    0.9903    0.6177 H   0  0  0  0  0
    4.0378    2.3118   -2.4489 H   0  0  0  0  0
    3.4834   -0.1589    1.8610 H   0  0  0  0  0
    6.4056    0.9867   -2.5329 H   0  0  0  0  0
    8.4637   -1.4858    1.4155 H   0  0  0  0  0
    9.8957   -0.6565    3.1970 H   0  0  0  0  0
    7.1575    2.5798    3.9194 H   0  0  0  0  0
    5.7045    1.7710    2.1406 H   0  0  0  0  0
   10.4655    1.1638    6.3826 H   0  0  0  0  0
   11.0307    0.3757    4.9044 H   0  0  0  0  0
    9.5718   -0.2358    5.7749 H   0  0  0  0  0
    6.4038   -2.5011   -0.0985 H   0  0  0  0  0
    6.3592   -4.4365    1.3023 H   0  0  0  0  0
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    4.0500   -6.4096    1.4889 H   0  0  0  0  0
    3.8959   -6.6490    3.2068 H   0  0  0  0  0
    5.6178   -8.1669    2.3171 H   0  0  0  0  0
    6.4703   -6.8454    1.5620 H   0  0  0  0  0
    7.4339   -5.3565    4.8654 H   0  0  0  0  0
    7.6039   -5.0962    3.1505 H   0  0  0  0  0
    5.0112   -4.9277    4.7702 H   0  0  0  0  0
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    6.8355   -7.5151    5.6620 H   0  0  0  0  0
    6.0887   -8.6970    4.6020 H   0  0  0  0  0
    5.1793   -7.2546    5.0869 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  2  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 36  1  0  0  0
  8 20  1  0  0  0
  8 12  1  0  0  0
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  9 10  2  0  0  0
  9 11  1  0  0  0
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 30 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2164835

>  <PubChem CID>
71455106

>  <Formula>
C23H27ClN4O3

>  <Molecular Weight>
442.944000

>  <IUPAC Name>
N-[6-chloro-3-(4-methoxyphenyl)-5-methyl-2-oxo-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)acetamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)OC)NC(=O)CN4CCN(CC4)C)Cl

>  <Isomeric SMILES>
CC1=C(C=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)OC)NC(=O)CN4CCN(CC4)C)Cl

>  <InChI Std. ID>
InChI=1S/C23H27ClN4O3/c1-15-12-18-20(13-19(15)24)25-22(30)23(18,16-4-6-17(31-3)7-5-16)26-21(29)14-28-10-8-27(2)9-11-28/h4-7,12-13H,8-11,14H2,1-3H3,(H,25,30)(H,26,29)

>  <InChI Key>
AWHFSCLBUGXRCU-UHFFFAOYSA-N

