
 CHEMBL61424

 73 77  0  0  0  0  0  0  0  0999 V2000
    1.1545    7.2079   -5.9154 C   0  0  0  0  0
    1.7458    7.1610   -4.5362 C   0  0  0  0  0
    1.6708    6.0270   -3.7315 C   0  0  0  0  0
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    2.9402    8.2725   -2.9251 C   0  0  0  0  0
    2.3621    8.3004   -4.1313 N   0  0  0  0  0
    2.4846    4.9311   -1.5834 C   0  0  0  0  0
    0.9588    4.8289   -4.2246 C   0  0  0  0  0
    1.5060    4.1864   -5.1134 O   0  0  0  0  0
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   -4.3449    4.7801    3.2001 C   0  0  0  0  0
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    1.5257    6.3829   -6.5308 H   0  0  0  0  0
    1.4402    8.1370   -6.4227 H   0  0  0  0  0
    3.4257    9.1815   -2.5869 H   0  0  0  0  0
    3.4492    4.9646   -1.0645 H   0  0  0  0  0
    2.4249    3.9678   -2.0953 H   0  0  0  0  0
    1.7043    5.0026   -0.8204 H   0  0  0  0  0
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    0.2469    3.4616   -1.4370 H   0  0  0  0  0
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   -5.3197    4.4213   -1.8790 H   0  0  0  0  0
   -6.9172    3.0967   -0.8305 H   0  0  0  0  0
   -5.8570    0.7605   -1.3725 H   0  0  0  0  0
   -5.7717    2.0296   -2.5791 H   0  0  0  0  0
   -3.6106    1.0946   -0.6891 H   0  0  0  0  0
   -3.6910    0.8471   -2.4401 H   0  0  0  0  0
   -6.6903    1.7977    3.4049 H   0  0  0  0  0
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   -9.9519   -0.8084    2.5330 H   0  0  0  0  0
   -9.5766   -0.4698    0.1049 H   0  0  0  0  0
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   -2.5061    2.0173    3.9103 H   0  0  0  0  0
   -2.7178    4.4044    4.5581 H   0  0  0  0  0
   -4.4610    5.8182    3.5004 H   0  0  0  0  0
   -5.9967    4.8523    1.8318 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 38  1  0  0  0
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  2  7  1  0  0  0
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 36 73  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL61424

>  <PubChem CID>
3008928

>  <Formula>
C30H37N5O

>  <Molecular Weight>
483.660000

>  <IUPAC Name>
(4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[4-(N-phenylanilino)piperidin-1-yl]piperidin-1-yl]methanone

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=NC=N1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(C4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
CC1=C(C(=NC=N1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)N(C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C30H37N5O/c1-23-28(24(2)32-22-31-23)29(36)33-20-16-30(3,17-21-33)34-18-14-27(15-19-34)35(25-10-6-4-7-11-25)26-12-8-5-9-13-26/h4-13,22,27H,14-21H2,1-3H3

>  <InChI Key>
LXIQLCKAIYEIEH-UHFFFAOYSA-N

