
 CHEMBL1807281

 56 58  0  0  0  0  0  0  0  0999 V2000
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    2.6532   -2.7944   -0.4075 C   0  0  0  0  0
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   -3.4452   -5.3078   -2.2510 Cl  0  0  0  0  0
    3.9517   -4.0298    1.1945 N   0  0  0  0  0
    4.2141   -4.6856    2.3707 C   0  0  0  0  0
    3.3367   -5.2474    3.0200 O   0  0  0  0  0
    5.6686   -4.6538    2.8105 C   0  0  0  0  0
    5.9119   -3.6890    3.9467 C   0  0  0  0  0
    6.7629   -2.5872    3.7808 C   0  0  0  0  0
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    5.2921   -3.8880    5.1903 C   0  0  0  0  0
    6.6107   -0.8008    7.3552 Cl  0  0  0  0  0
   -1.0728   -1.0493   -1.0552 O   0  0  0  0  0
    2.1420    1.2436   -2.9152 H   0  0  0  0  0
    1.7211    2.3208   -1.5871 H   0  0  0  0  0
   -0.0759    2.1793   -3.3232 H   0  0  0  0  0
   -0.6355    1.7001   -1.7285 H   0  0  0  0  0
   -1.4928    0.1187   -3.3626 H   0  0  0  0  0
    0.1133   -0.1224   -4.0619 H   0  0  0  0  0
   -0.3855   -2.0474   -2.6830 H   0  0  0  0  0
    1.9546   -1.3472   -2.5106 H   0  0  0  0  0
    1.1406    0.4219   -0.1445 H   0  0  0  0  0
    2.7603    0.2084   -0.7820 H   0  0  0  0  0
    0.6131   -2.4614   -0.1742 H   0  0  0  0  0
    1.9346   -3.6097    1.4616 H   0  0  0  0  0
    2.2011   -6.0551    0.7736 H   0  0  0  0  0
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    4.6873   -3.5422    0.6898 H   0  0  0  0  0
    6.3073   -4.4083    1.9535 H   0  0  0  0  0
    5.9561   -5.6663    3.1186 H   0  0  0  0  0
    7.2643   -2.4109    2.8315 H   0  0  0  0  0
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  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 38  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 19  1  0  0  0
 10 11  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1807281

>  <PubChem CID>
56663273

>  <Formula>
C23H26Cl2N2O3

>  <Molecular Weight>
449.372000

>  <IUPAC Name>
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-(2-hydroxycyclohexyl)propanamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(C(C1)NC(=O)C(CC2=CC=C(C=C2)Cl)NC(=O)CC3=CC=C(C=C3)Cl)O

>  <Isomeric SMILES>
C1CCC(C(C1)NC(=O)[C@@H](CC2=CC=C(C=C2)Cl)NC(=O)CC3=CC=C(C=C3)Cl)O

>  <InChI Std. ID>
InChI=1S/C23H26Cl2N2O3/c24-17-9-5-15(6-10-17)13-20(23(30)27-19-3-1-2-4-21(19)28)26-22(29)14-16-7-11-18(25)12-8-16/h5-12,19-21,28H,1-4,13-14H2,(H,26,29)(H,27,30)/t19?,20-,21?/m1/s1

>  <InChI Key>
CGKHAKNUNHIBMG-NYLDSWQDSA-N

