
 CHEMBL2180497

 61 63  0  0  0  0  0  0  0  0999 V2000
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    2.8818    6.4844   -2.1307 C   0  0  0  0  0
   -0.1693    8.3321   -0.3310 Cl  0  0  0  0  0
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    4.7228    2.6600    1.2133 C   0  0  0  0  0
    5.7607    2.1684    0.7678 O   0  0  0  0  0
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    1.4741    5.4859    3.1297 C   0  0  0  0  0
    2.6457    5.1940    2.4310 C   0  0  0  0  0
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    0.9144   -2.2849    1.2578 H   0  0  0  0  0
    2.5022   -3.0595    1.4610 H   0  0  0  0  0
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    3.4265   -1.7733   -0.4258 H   0  0  0  0  0
    1.7486    0.1177    1.3235 H   0  0  0  0  0
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    4.8806    2.0736   -1.6608 H   0  0  0  0  0
    4.3908    4.3483   -1.7596 H   0  0  0  0  0
    5.2688    4.0455   -3.2435 H   0  0  0  0  0
    3.6030    5.0503   -4.3731 H   0  0  0  0  0
    1.5971    3.6503   -4.9374 H   0  0  0  0  0
    3.1313    2.8225   -5.0173 H   0  0  0  0  0
    0.9279    2.4398   -2.9755 H   0  0  0  0  0
    1.8196    1.2505   -3.9022 H   0  0  0  0  0
    0.3296    4.5207   -3.2379 H   0  0  0  0  0
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    2.8707    5.7482    1.5224 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 32  1  0  0  0
  1 33  1  0  0  0
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  2 35  1  0  0  0
  3  5  1  0  0  0
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  5 21  1  0  0  0
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  5 40  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
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  8  9  1  0  0  0
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  9 41  1  0  0  0
  9 42  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2180497

>  <PubChem CID>
71457361

>  <Formula>
C25H31ClN2O2

>  <Molecular Weight>
426.985000

>  <IUPAC Name>
N-[(2R,3R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-phenylacetamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC(C)C(C(=O)N1CCC(CC1)C2=CC=C(C=C2)Cl)NC(=O)CC3=CC=CC=C3

>  <Isomeric SMILES>
CC[C@@H](C)[C@H](C(=O)N1CCC(CC1)C2=CC=C(C=C2)Cl)NC(=O)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C25H31ClN2O2/c1-3-18(2)24(27-23(29)17-19-7-5-4-6-8-19)25(30)28-15-13-21(14-16-28)20-9-11-22(26)12-10-20/h4-12,18,21,24H,3,13-17H2,1-2H3,(H,27,29)/t18-,24-/m1/s1

>  <InChI Key>
BANWPFWYILZWSG-HOYKHHGWSA-N

