
 CHEMBL1223502

 58 61  0  0  0  0  0  0  0  0999 V2000
    0.8226    1.2287   -0.8893 C   0  0  0  0  0
   -0.3769    0.2765   -0.7564 C   0  0  0  0  0
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    4.7207   -0.2047    4.4360 N   0  0  0  0  0
    3.6652    0.7875    4.7384 C   0  0  0  0  0
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    6.4438   -5.1948    1.5706 Cl  0  0  0  0  0
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    0.9025   -1.6473    0.7758 H   0  0  0  0  0
    1.3977   -2.6019   -0.6224 H   0  0  0  0  0
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    2.5473   -0.6853   -1.6262 H   0  0  0  0  0
    2.9018    1.3849   -0.3675 H   0  0  0  0  0
    4.5152    0.4617    1.0539 H   0  0  0  0  0
    3.8559   -0.9968    1.8136 H   0  0  0  0  0
    6.0356   -0.5620    2.8016 H   0  0  0  0  0
    5.6413    1.1061    3.0855 H   0  0  0  0  0
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  1  6  1  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
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  2  3  1  0  0  0
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  2 33  1  0  0  0
  3  4  1  0  0  0
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  6 38  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1223502

>  <PubChem CID>
10179947

>  <Formula>
C23H29ClN4O

>  <Molecular Weight>
412.962000

>  <IUPAC Name>
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)CC4=CC=NC=C4

>  <Isomeric SMILES>
C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)CC4=CC=NC=C4

>  <InChI Std. ID>
InChI=1S/C23H29ClN4O/c24-22-3-1-2-20(16-22)18-27-12-14-28(15-13-27)23(29)21-6-10-26(11-7-21)17-19-4-8-25-9-5-19/h1-5,8-9,16,21H,6-7,10-15,17-18H2

>  <InChI Key>
CZLIWQUYWUTHOF-UHFFFAOYSA-N

