
 CHEMBL18512

 59 64  0  0  0  0  0  0  0  0999 V2000
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    5.4517   -2.8611    3.7449 C   0  0  0  0  0
    7.2138    0.1920    2.8652 F   0  0  0  0  0
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   -5.6663    3.4424    0.2190 O   0  0  0  0  0
    1.0185    1.1325   -1.3424 H   0  0  0  0  0
    1.3903    2.0017    0.1388 H   0  0  0  0  0
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    0.9213   -1.3952   -1.3413 H   0  0  0  0  0
    2.6214   -0.1898   -0.1224 H   0  0  0  0  0
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  -10.6319   -0.0010    0.1906 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
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 31 32  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL18512

>  <PubChem CID>
15646689

>  <Formula>
C26H26FN3O2S

>  <Molecular Weight>
463.571000

>  <IUPAC Name>


>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1CC2=CNC3=C2C=C(C=C3)F)CCN4C5=CC=CC6=C5C(=CC=C6)S4(=O)=O

>  <Isomeric SMILES>
C1CN(CCC1CC2=CNC3=C2C=C(C=C3)F)CCN4C5=CC=CC6=C5C(=CC=C6)S4(=O)=O

>  <InChI Std. ID>
InChI=1S/C26H26FN3O2S/c27-21-7-8-23-22(16-21)20(17-28-23)15-18-9-11-29(12-10-18)13-14-30-24-5-1-3-19-4-2-6-25(26(19)24)33(30,31)32/h1-8,16-18,28H,9-15H2

>  <InChI Key>
AEXVRZSWDPHQBS-UHFFFAOYSA-N

