
 CHEMBL1642853

 56 59  0  0  0  0  0  0  0  0999 V2000
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    2.2041   -2.6051    0.0500 C   0  0  0  0  0
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    2.2313    0.7676    4.5399 C   0  0  0  0  0
    2.3517    1.2061    5.8550 C   0  0  0  0  0
    2.3810    0.5514    7.0665 C   0  0  0  0  0
    2.5142    1.4797    8.0397 N   0  0  0  0  0
    2.5742    2.6891    7.4934 N   0  0  0  0  0
    2.4783    2.5318    6.1609 C   0  0  0  0  0
    2.5045    3.5174    5.1834 C   0  0  0  0  0
    2.3935    3.1137    3.8406 C   0  0  0  0  0
    2.2811   -1.2141    7.3797 S   0  0  0  0  0
    3.3956   -1.5030    8.3981 O   0  0  0  0  0
    1.0841   -1.4342    8.3169 O   0  0  0  0  0
    2.2855   -2.5909    6.2000 C   0  0  0  0  0
    3.3607   -3.4954    6.2200 C   0  0  0  0  0
    3.3998   -4.5776    5.3409 C   0  0  0  0  0
    2.3715   -4.7762    4.4228 C   0  0  0  0  0
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    1.2320   -2.7859    5.2690 C   0  0  0  0  0
    2.0292    0.1163   -4.4084 Cl  0  0  0  0  0
    1.0742   -1.4573   -1.3841 H   0  0  0  0  0
    0.2269   -1.6743    0.1849 H   0  0  0  0  0
    1.7896   -3.5620   -0.3335 H   0  0  0  0  0
    2.3303   -2.7169    1.1487 H   0  0  0  0  0
    4.1558   -3.1292   -0.3519 H   0  0  0  0  0
    4.3240   -1.1210    0.9376 H   0  0  0  0  0
    5.0569   -0.9211   -0.6779 H   0  0  0  0  0
    3.6102    1.0559   -0.1614 H   0  0  0  0  0
    3.0288    0.1301   -1.5788 H   0  0  0  0  0
    1.0642    0.6760   -0.2011 H   0  0  0  0  0
    2.5287   -0.6935    2.1428 H   0  0  0  0  0
    0.7950   -0.2280    2.1237 H   0  0  0  0  0
    2.2421    2.1048    1.4151 H   0  0  0  0  0
    2.1370   -0.2844    4.3305 H   0  0  0  0  0
    2.5679    1.2965    9.0661 H   0  0  0  0  0
    2.6090    4.5624    5.4451 H   0  0  0  0  0
    2.4115    3.8643    3.0603 H   0  0  0  0  0
    4.1732   -3.3670    6.9224 H   0  0  0  0  0
    4.2335   -5.2675    5.3725 H   0  0  0  0  0
    2.4205   -5.6229    3.7481 H   0  0  0  0  0
    0.2906   -4.9315    2.7602 H   0  0  0  0  0
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   -1.7307   -1.4487    4.2200 H   0  0  0  0  0
    0.0423   -1.0596    5.8594 H   0  0  0  0  0
    2.9173    1.0912   -4.0159 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
  8 44  1  0  0  0
  9 17  1  0  0  0
  9 10  2  0  0  0
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 18 21  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1642853

>  <PubChem CID>
53324722

>  <Formula>
C23H25ClN4O2S

>  <Molecular Weight>
456.989000

>  <IUPAC Name>
3-naphthalen-1-ylsulfonyl-N-(piperidin-4-ylmethyl)-2H-indazol-5-amine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CNCCC1CNC2=CC3=C(NN=C3C=C2)S(=O)(=O)C4=CC=CC5=CC=CC=C54.Cl

>  <Isomeric SMILES>
C1CNCCC1CNC2=CC3=C(NN=C3C=C2)S(=O)(=O)C4=CC=CC5=CC=CC=C54.Cl

>  <InChI Std. ID>
InChI=1S/C23H24N4O2S.ClH/c28-30(29,22-7-3-5-17-4-1-2-6-19(17)22)23-20-14-18(8-9-21(20)26-27-23)25-15-16-10-12-24-13-11-16;/h1-9,14,16,24-25H,10-13,15H2,(H,26,27);1H

>  <InChI Key>
AHEKFKPECXDSIS-UHFFFAOYSA-N

