
 CHEMBL1642882

 45 48  0  0  0  0  0  0  0  0999 V2000
    0.7795    0.6960    1.9132 C   0  0  0  0  0
   -0.1749    0.8781    0.7353 C   0  0  0  0  0
   -1.5584    1.0244    1.1828 N   0  0  0  0  0
   -1.7128    2.1783    2.0676 C   0  0  0  0  0
   -0.8399    2.0413    3.3095 C   0  0  0  0  0
    0.6337    1.7993    2.9674 C   0  0  0  0  0
    1.2412    3.0608    2.5027 N   0  0  0  0  0
    2.6096    3.3154    2.7020 C   0  0  0  0  0
    3.2646    2.9190    3.8902 C   0  0  0  0  0
    4.6052    3.3008    3.9297 C   0  0  0  0  0
    5.4952    3.0393    4.9426 C   0  0  0  0  0
    6.6448    3.6565    4.5295 N   0  0  0  0  0
    6.5772    4.2409    3.3186 N   0  0  0  0  0
    5.3071    4.0571    2.9264 C   0  0  0  0  0
    4.6510    4.4872    1.7653 C   0  0  0  0  0
    3.2900    4.0983    1.7030 C   0  0  0  0  0
    5.4743    2.2008    6.4742 S   0  0  0  0  0
    6.8389    2.3011    6.9513 O   0  0  0  0  0
    4.3603    2.7656    7.2063 O   0  0  0  0  0
    5.1233    0.5013    6.1251 C   0  0  0  0  0
    3.7983    0.0563    6.1307 C   0  0  0  0  0
    3.5300   -1.2833    5.8637 C   0  0  0  0  0
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    1.1136    1.4552    3.8883 H   0  0  0  0  0
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    7.5213    3.7002    5.0429 H   0  0  0  0  0
    5.1363    5.0729    0.9976 H   0  0  0  0  0
    2.7281    4.4241    0.8271 H   0  0  0  0  0
    2.9806    0.7403    6.3436 H   0  0  0  0  0
    4.3573   -3.2296    5.4296 H   0  0  0  0  0
    6.7063   -2.4435    5.4907 H   0  0  0  0  0
    7.2114   -0.0609    5.9366 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1642882

>  <PubChem CID>
16117151

>  <Formula>
C18H19ClN4O2S

>  <Molecular Weight>
390.886000

>  <IUPAC Name>
3-(3-chlorophenyl)sulfonyl-N-piperidin-4-yl-2H-indazol-5-amine

>  <XlogP>
3.400

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CNCCC1NC2=CC3=C(NN=C3C=C2)S(=O)(=O)C4=CC(=CC=C4)Cl

>  <Isomeric SMILES>
C1CNCCC1NC2=CC3=C(NN=C3C=C2)S(=O)(=O)C4=CC(=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C18H19ClN4O2S/c19-12-2-1-3-15(10-12)26(24,25)18-16-11-14(4-5-17(16)22-23-18)21-13-6-8-20-9-7-13/h1-5,10-11,13,20-21H,6-9H2,(H,22,23)

>  <InChI Key>
AEFDXRNFDYCLFW-UHFFFAOYSA-N

