
 CHEMBL327527

 66 71  0  0  0  0  0  0  0  0999 V2000
    1.2245    0.6825    0.8209 C   0  0  0  0  0
    2.6041    0.5907    0.4267 N   0  0  0  0  0
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   14.2446   -3.9853    0.0169 F   0  0  0  0  0
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    4.4042   -2.9224    0.2307 H   0  0  0  0  0
    9.0131   -1.1334   -0.3087 H   0  0  0  0  0
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    6.7705   -7.4801    1.9216 H   0  0  0  0  0
    3.9262   -6.5055    1.4146 H   0  0  0  0  0
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   10.3079   -2.1465    1.1419 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
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  5  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
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 32 33  2  0  0  0
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 35 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL327527

>  <PubChem CID>
10917920

>  <Formula>
C27H30FN7O

>  <Molecular Weight>
487.583000

>  <IUPAC Name>
1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C=NC(=N1)C2=CC3=C(C=C2)N(C=C3C4CCN(CC4)CCN5CCNC5=O)C6=CC=C(C=C6)F

>  <Isomeric SMILES>
CN1C=NC(=N1)C2=CC3=C(C=C2)N(C=C3C4CCN(CC4)CCN5CCNC5=O)C6=CC=C(C=C6)F

>  <InChI Std. ID>
InChI=1S/C27H30FN7O/c1-32-18-30-26(31-32)20-2-7-25-23(16-20)24(17-35(25)22-5-3-21(28)4-6-22)19-8-11-33(12-9-19)14-15-34-13-10-29-27(34)36/h2-7,16-19H,8-15H2,1H3,(H,29,36)

>  <InChI Key>
CBFLLWSFCPBXDU-UHFFFAOYSA-N

