
 CHEMBL56571

 64 68  0  0  0  0  0  0  0  0999 V2000
    5.7001   -0.0599   -4.0706 C   0  0  0  0  0
    4.0450    0.7469   -3.7998 Si  0  0  0  0  0
    2.9910   -0.2231   -2.6017 C   0  0  0  0  0
    2.5154   -1.4616   -3.2241 N   0  0  0  0  0
    1.8198   -1.4870   -4.4484 C   0  0  0  0  0
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    0.8833   -3.5886   -0.4866 N   0  0  0  0  0
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   -7.3898   -4.0797    1.3948 C   0  0  0  0  0
   -6.6211   -4.2785    2.5438 C   0  0  0  0  0
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    4.2350    2.5115   -3.2313 C   0  0  0  0  0
    5.5841   -1.0978   -4.3970 H   0  0  0  0  0
    6.2872   -0.0611   -3.1472 H   0  0  0  0  0
    6.2748    0.4724   -4.8345 H   0  0  0  0  0
    3.5771   -0.4641   -1.7090 H   0  0  0  0  0
    2.1114    0.3552   -2.2988 H   0  0  0  0  0
    0.4721   -1.2166   -6.7330 H   0  0  0  0  0
    0.7480    0.4429   -8.5298 H   0  0  0  0  0
    2.4599    2.2263   -8.3337 H   0  0  0  0  0
    3.8829    2.3672   -6.3371 H   0  0  0  0  0
    3.2219   -2.7188   -1.7148 H   0  0  0  0  0
    2.2490   -3.5126   -2.9452 H   0  0  0  0  0
    0.1855   -2.3020   -2.0561 H   0  0  0  0  0
    1.2020   -1.5459   -0.8511 H   0  0  0  0  0
    0.2049   -2.3075    1.0544 H   0  0  0  0  0
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   -2.1867   -2.9016    0.9101 H   0  0  0  0  0
   -1.6126   -2.2899   -0.6177 H   0  0  0  0  0
   -2.9128   -4.1599   -1.2045 H   0  0  0  0  0
   -1.1858   -5.8174   -2.1142 H   0  0  0  0  0
   -0.9966   -4.1352   -2.5582 H   0  0  0  0  0
    0.5752   -5.6562   -0.4193 H   0  0  0  0  0
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   -8.4214   -3.7508    1.4761 H   0  0  0  0  0
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    3.2638    3.0136   -3.1809 H   0  0  0  0  0
    4.8746    3.0788   -3.9142 H   0  0  0  0  0
    4.6861    2.5518   -2.2352 H   0  0  0  0  0
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  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
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  5  6  2  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
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 32 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL56571

>  <PubChem CID>
44300167

>  <Formula>
C26H32FN3OSi

>  <Molecular Weight>
449.645000

>  <IUPAC Name>
3-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-1,1-dimethyl-2H-3,1-benzazasilin-4-one

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C26H32FN3OSi/c1-32(2)18-30(26(31)22-5-3-4-6-25(22)32)14-13-29-11-9-19(10-12-29)15-20-17-28-24-8-7-21(27)16-23(20)24/h3-8,16-17,19,28H,9-15,18H2,1-2H3

>  <InChI Key>
FLDCEHWXDRNEEH-UHFFFAOYSA-N

