
 CHEMBL3233666

 68 70  0  0  0  0  0  0  0  0999 V2000
    4.2965   -0.8518    2.9820 C   0  0  0  0  0
    3.3473   -0.2379    1.9341 C   0  0  0  0  0
    3.9869    1.0043    1.3346 C   0  0  0  0  0
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   -0.2814    1.0083    2.0205 C   0  0  0  0  0
    1.0080    0.6964    1.5804 C   0  0  0  0  0
   -2.6565   -3.3228    2.8349 Cl  0  0  0  0  0
    5.2962   -1.0383    2.5332 H   0  0  0  0  0
    3.9075   -1.8222    3.3543 H   0  0  0  0  0
    4.4288   -0.1583    3.8402 H   0  0  0  0  0
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    3.6270   -3.1154    0.3431 H   0  0  0  0  0
    1.9042   -2.2243   -1.2976 H   0  0  0  0  0
    0.8011   -1.8855    0.0885 H   0  0  0  0  0
    0.7848   -4.3386    0.6405 H   0  0  0  0  0
    1.8990   -4.6579   -0.7489 H   0  0  0  0  0
    0.1854   -3.7055   -2.3303 H   0  0  0  0  0
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   -0.9496   -5.8341   -0.4116 H   0  0  0  0  0
    0.1329   -6.1349   -1.8033 H   0  0  0  0  0
   -1.4228   -7.6233   -2.8196 H   0  0  0  0  0
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   -4.5219   -4.5452   -0.4571 H   0  0  0  0  0
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   -9.1283   -8.3063   -0.3296 H   0  0  0  0  0
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    4.9484    1.4183   -1.8880 H   0  0  0  0  0
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    4.2134    2.7232   -0.8870 H   0  0  0  0  0
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   -0.9786    1.4938    1.3499 H   0  0  0  0  0
    1.2901    0.9488    0.5661 H   0  0  0  0  0
   -1.5132   -3.0381    2.1258 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  8  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
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  9 39  1  0  0  0
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 20 21  2  0  0  0
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 22 23  2  0  0  0
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 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 63  1  0  0  0
 30 31  2  0  0  0
 30 64  1  0  0  0
 31 32  1  0  0  0
 31 65  1  0  0  0
 32 33  2  0  0  0
 32 66  1  0  0  0
 33 67  1  0  0  0
 34 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3233666

>  <PubChem CID>
90654834

>  <Formula>
C26H34ClFN4O2

>  <Molecular Weight>
489.032000

>  <IUPAC Name>
1-[5-[4-(2-fluorophenyl)piperazin-1-yl]pentyl]-3,5-dimethyl-5-phenylimidazolidine-2,4-dione;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(C(=O)N(C(=O)N1CCCCCN2CCN(CC2)C3=CC=CC=C3F)C)C4=CC=CC=C4.Cl

>  <Isomeric SMILES>
CC1(C(=O)N(C(=O)N1CCCCCN2CCN(CC2)C3=CC=CC=C3F)C)C4=CC=CC=C4.Cl

>  <InChI Std. ID>
InChI=1S/C26H33FN4O2.ClH/c1-26(21-11-5-3-6-12-21)24(32)28(2)25(33)31(26)16-10-4-9-15-29-17-19-30(20-18-29)23-14-8-7-13-22(23)27;/h3,5-8,11-14H,4,9-10,15-20H2,1-2H3;1H

>  <InChI Key>
PRBFQLUJPVQDGH-UHFFFAOYSA-N

