
 CHEMBL294484

 63 66  0  0  0  0  0  0  0  0999 V2000
    8.6333   11.3265   -1.0448 C   0  0  0  0  0
    8.1793   10.5147   -2.2575 C   0  0  0  0  0
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    4.6600    9.7018   -1.9120 C   0  0  0  0  0
    5.3618    8.5975   -1.3483 C   0  0  0  0  0
    6.6981    8.7794   -1.4264 N   0  0  0  0  0
    4.7979    7.3787   -0.7349 C   0  0  0  0  0
    3.5961    7.1570   -0.6334 O   0  0  0  0  0
    5.7787    6.5163   -0.2919 N   0  0  0  0  0
    5.5403    5.2022    0.2835 C   0  0  0  0  0
    5.4316    4.1290   -0.8009 C   0  0  0  0  0
    6.7636    3.8947   -1.5321 C   0  0  0  0  0
    7.9333    4.2970   -0.7428 N   0  0  0  0  0
    7.7726    3.9862    0.6723 C   0  0  0  0  0
    6.6568    4.8480    1.2811 C   0  0  0  0  0
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   10.8906    2.1194   -1.8066 N   0  0  0  0  0
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   10.7998   -0.1650   -1.5652 O   0  0  0  0  0
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   15.3269    0.5234   -3.6106 C   0  0  0  0  0
   14.3911   -0.4954   -3.7920 C   0  0  0  0  0
   13.1197   -0.3872   -3.2233 C   0  0  0  0  0
    7.9372   12.1470   -0.8384 H   0  0  0  0  0
    9.6234   11.7622   -1.2156 H   0  0  0  0  0
    8.6860   10.7045   -0.1442 H   0  0  0  0  0
    8.1046   11.1846   -3.1221 H   0  0  0  0  0
    9.4108    8.7781   -1.7556 H   0  0  0  0  0
   10.1574    9.8940   -2.9072 H   0  0  0  0  0
    8.8578    8.8129   -3.4380 H   0  0  0  0  0
    6.1217   12.4689   -3.3371 H   0  0  0  0  0
    3.7300   13.0588   -3.6402 H   0  0  0  0  0
    1.9478   11.5448   -2.8452 H   0  0  0  0  0
    2.5158    9.3959   -1.7391 H   0  0  0  0  0
    6.7286    6.7688   -0.5620 H   0  0  0  0  0
    4.5878    5.2615    0.8238 H   0  0  0  0  0
    4.6537    4.3856   -1.5296 H   0  0  0  0  0
    5.1211    3.1894   -0.3245 H   0  0  0  0  0
    6.8091    2.8355   -1.8127 H   0  0  0  0  0
    6.7601    4.4701   -2.4656 H   0  0  0  0  0
    7.5468    2.9220    0.8171 H   0  0  0  0  0
    8.6968    4.1915    1.2266 H   0  0  0  0  0
    6.2244    4.2909    2.1213 H   0  0  0  0  0
    7.0864    5.7650    1.7055 H   0  0  0  0  0
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    9.5117    1.9558   -0.2777 H   0  0  0  0  0
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   15.7371    2.4310   -2.6978 H   0  0  0  0  0
   16.3174    0.4355   -4.0512 H   0  0  0  0  0
   14.6524   -1.3762   -4.3736 H   0  0  0  0  0
   12.3949   -1.1865   -3.3635 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  7  8  2  0  0  0
  7 41  1  0  0  0
  8  9  1  0  0  0
  8 42  1  0  0  0
  9 10  2  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
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 27 28  2  0  0  0
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 29 30  2  0  0  0
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 31 62  1  0  0  0
 32 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL294484

>  <PubChem CID>
9910744

>  <Formula>
C25H31N5O2

>  <Molecular Weight>
433.556000

>  <IUPAC Name>
N-[1-(2-benzamidoethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)CCNC(=O)C4=CC=CC=C4

>  <Isomeric SMILES>
CC(C)N1C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)CCNC(=O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C25H31N5O2/c1-18(2)30-22-11-7-6-10-21(22)23(28-30)25(32)27-20-12-15-29(16-13-20)17-14-26-24(31)19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3,(H,26,31)(H,27,32)

>  <InChI Key>
BJYHYOYVIPQANQ-UHFFFAOYSA-N

