
 CHEMBL57514

 65 69  0  0  0  0  0  0  0  0999 V2000
    3.5348   -3.0712    6.1412 C   0  0  0  0  0
    1.7233   -2.6944    5.8506 Si  0  0  0  0  0
    1.0409   -3.7844    4.4800 C   0  0  0  0  0
    1.5699   -3.3232    3.1508 N   0  0  0  0  0
    0.8980   -1.8143    2.6168 S   0  0  0  0  0
    1.6625   -1.3796    1.4672 O   0  0  0  0  0
   -0.5386   -1.9869    2.5525 O   0  0  0  0  0
    1.2158   -0.6055    3.8998 C   0  0  0  0  0
    1.1096    0.7356    3.4899 C   0  0  0  0  0
    1.3239    1.7725    4.3953 C   0  0  0  0  0
    1.6490    1.4789    5.7148 C   0  0  0  0  0
    1.7657    0.1505    6.1319 C   0  0  0  0  0
    1.5515   -0.9150    5.2327 C   0  0  0  0  0
    1.4094   -4.4425    2.1376 C   0  0  0  0  0
    2.1957   -4.2311    0.8282 C   0  0  0  0  0
    2.1139   -5.3460   -0.1474 N   0  0  0  0  0
    2.7013   -6.5949    0.3521 C   0  0  0  0  0
    2.5758   -7.7146   -0.6861 C   0  0  0  0  0
    3.2304   -7.3542   -2.0285 C   0  0  0  0  0
    2.6558   -6.0066   -2.4909 C   0  0  0  0  0
    2.7506   -4.9261   -1.4104 C   0  0  0  0  0
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    5.7504   -9.1779   -0.4989 C   0  0  0  0  0
    6.2838  -10.4216   -0.6962 N   0  0  0  0  0
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    5.7743   -9.6213   -2.7136 C   0  0  0  0  0
    5.7015   -9.6692   -4.1202 C   0  0  0  0  0
    6.1801  -10.8005   -4.7813 C   0  0  0  0  0
    6.7179  -11.8788   -4.0907 C   0  0  0  0  0
    6.7971  -11.8582   -2.6963 C   0  0  0  0  0
    6.1211  -10.8473   -6.1195 F   0  0  0  0  0
    0.7501   -2.9421    7.4277 C   0  0  0  0  0
    4.1161   -2.9140    5.2278 H   0  0  0  0  0
    3.6670   -4.1112    6.4544 H   0  0  0  0  0
    3.9458   -2.4256    6.9230 H   0  0  0  0  0
    1.3629   -4.8118    4.6803 H   0  0  0  0  0
   -0.0546   -3.7831    4.4724 H   0  0  0  0  0
    0.8549    0.9755    2.4585 H   0  0  0  0  0
    1.2351    2.8053    4.0697 H   0  0  0  0  0
    1.8149    2.2866    6.4233 H   0  0  0  0  0
    2.0265   -0.0357    7.1733 H   0  0  0  0  0
    0.3434   -4.6012    1.9321 H   0  0  0  0  0
    1.7832   -5.3541    2.6197 H   0  0  0  0  0
    3.2424   -3.9953    1.0611 H   0  0  0  0  0
    1.7702   -3.3624    0.3205 H   0  0  0  0  0
    2.1661   -6.9349    1.2446 H   0  0  0  0  0
    3.7497   -6.4513    0.6399 H   0  0  0  0  0
    2.9877   -8.6440   -0.2803 H   0  0  0  0  0
    1.5093   -7.9140   -0.8598 H   0  0  0  0  0
    2.9398   -8.1153   -2.7649 H   0  0  0  0  0
    3.1660   -5.6647   -3.3994 H   0  0  0  0  0
    1.6009   -6.1440   -2.7619 H   0  0  0  0  0
    3.8008   -4.6553   -1.2439 H   0  0  0  0  0
    2.2478   -4.0302   -1.7951 H   0  0  0  0  0
    5.1208   -6.6100   -1.2032 H   0  0  0  0  0
    5.1562   -6.9192   -2.9227 H   0  0  0  0  0
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    6.6142  -11.0368    0.0342 H   0  0  0  0  0
    5.2884   -8.8465   -4.6925 H   0  0  0  0  0
    7.0785  -12.7388   -4.6464 H   0  0  0  0  0
    7.2165  -12.6963   -2.1495 H   0  0  0  0  0
   -0.3057   -2.6965    7.2778 H   0  0  0  0  0
    1.1361   -2.3064    8.2310 H   0  0  0  0  0
    0.8131   -3.9814    7.7616 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  5  8  1  0  0  0
  5  7  2  0  0  0
  5  6  2  0  0  0
  8  9  2  0  0  0
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  9 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL57514

>  <PubChem CID>
44300172

>  <Formula>
C25H32FN3O2SSi

>  <Molecular Weight>
485.693000

>  <IUPAC Name>
2-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-4,4-dimethyl-3H-1$l^{6},2,4-benzothiazasiline 1,1-dioxide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C[Si]1(CN(S(=O)(=O)C2=CC=CC=C21)CCN3CCC(CC3)CC4=CNC5=C4C=C(C=C5)F)C

>  <Isomeric SMILES>
C[Si]1(CN(S(=O)(=O)C2=CC=CC=C21)CCN3CCC(CC3)CC4=CNC5=C4C=C(C=C5)F)C

>  <InChI Std. ID>
InChI=1S/C25H32FN3O2SSi/c1-33(2)18-29(32(30,31)24-5-3-4-6-25(24)33)14-13-28-11-9-19(10-12-28)15-20-17-27-23-8-7-21(26)16-22(20)23/h3-8,16-17,19,27H,9-15,18H2,1-2H3

>  <InChI Key>
BMKAEZCWYDIUCE-UHFFFAOYSA-N

