
 CHEMBL125455

 46 49  0  0  0  0  0  0  0  0999 V2000
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   -0.8232    1.0744   -0.3625 C   0  0  0  0  0
   -1.3455   -0.2150   -0.8662 N   0  0  0  0  0
   -0.8077   -1.3742   -0.1319 C   0  0  0  0  0
    0.7416   -1.3413   -0.1551 C   0  0  0  0  0
    1.3575   -0.0809    0.3288 N   0  0  0  0  0
    1.2660    0.0310    1.7876 C   0  0  0  0  0
    2.1006    1.1795    2.2713 C   0  0  0  0  0
    1.4574    2.4440    2.7750 C   0  0  0  0  0
    2.1447    1.5175    3.7516 C   0  0  0  0  0
    3.4656    1.9108    4.3719 C   0  0  0  0  0
    4.5616    1.0314    4.3590 C   0  0  0  0  0
    5.7897    1.3873    4.9227 C   0  0  0  0  0
    5.9451    2.6350    5.5190 C   0  0  0  0  0
    4.8722    3.5207    5.5567 C   0  0  0  0  0
    3.6460    3.1575    4.9934 C   0  0  0  0  0
   -2.7027   -0.2034   -1.2157 C   0  0  0  0  0
   -3.1577    0.4287   -2.4003 C   0  0  0  0  0
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   -5.4366   -0.2154   -1.9469 C   0  0  0  0  0
   -5.0245   -0.8497   -0.7806 C   0  0  0  0  0
   -3.6713   -0.8418   -0.4214 C   0  0  0  0  0
   -7.0971   -0.2378   -2.3907 Cl  0  0  0  0  0
   -2.0615    1.1761   -3.5174 Cl  0  0  0  0  0
    1.0475    0.9976   -1.4361 H   0  0  0  0  0
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    1.0747   -1.4957   -1.1906 H   0  0  0  0  0
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    0.2319    0.1151    2.1395 H   0  0  0  0  0
    3.0331    1.2648    1.7207 H   0  0  0  0  0
    0.3755    2.5017    2.8165 H   0  0  0  0  0
    1.9341    3.3812    2.5096 H   0  0  0  0  0
    1.4878    0.9453    4.4037 H   0  0  0  0  0
    4.4580    0.0538    3.8922 H   0  0  0  0  0
    6.6229    0.6905    4.8909 H   0  0  0  0  0
    6.9005    2.9165    5.9532 H   0  0  0  0  0
    4.9875    4.4960    6.0212 H   0  0  0  0  0
    2.8182    3.8621    5.0319 H   0  0  0  0  0
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   -5.7461   -1.3567   -0.1446 H   0  0  0  0  0
   -3.3918   -1.3391    0.5045 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
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  7 34  1  0  0  0
  8 10  1  0  0  0
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  9 37  1  0  0  0
 10 11  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL125455

>  <PubChem CID>
10594723

>  <Formula>
C20H22Cl2N2

>  <Molecular Weight>
361.310000

>  <IUPAC Name>
1-(2,4-dichlorophenyl)-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperazine

>  <XlogP>
5.200

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCN1CC2CC2C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
C1CN(CCN1C[C@@H]2C[C@H]2C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C20H22Cl2N2/c21-17-6-7-20(19(22)13-17)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m0/s1

>  <InChI Key>
AOSAPZYJOHCROI-WMZOPIPTSA-N

