
 CHEMBL1807276

 59 61  0  0  0  0  0  0  0  0999 V2000
    2.5677    3.3200    3.0708 C   0  0  0  0  0
    1.2359    2.5965    2.8983 C   0  0  0  0  0
    1.4600    1.6050    1.7617 C   0  0  0  0  0
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    1.2783    5.5980   -0.7973 C   0  0  0  0  0
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   -0.2645    5.9597   -2.5409 F   0  0  0  0  0
    3.2554    1.2576   -0.0231 C   0  0  0  0  0
    3.0825    0.0425    0.0605 O   0  0  0  0  0
    4.1825    1.7933   -0.8938 N   0  0  0  0  0
    5.0664    0.9369   -1.6924 C   0  0  0  0  0
    5.6220    1.7093   -2.8980 C   0  0  0  0  0
    6.5475    0.9004   -3.7799 C   0  0  0  0  0
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    6.9121   -0.6976   -5.5731 C   0  0  0  0  0
    8.2901   -0.5873   -5.3942 C   0  0  0  0  0
    8.8056    0.2548   -4.4137 C   0  0  0  0  0
    7.9380    0.9955   -3.6114 C   0  0  0  0  0
    9.3608   -1.4984   -6.3860 Cl  0  0  0  0  0
    6.1923    0.4742   -0.7467 C   0  0  0  0  0
    7.1425    1.1913   -0.4404 O   0  0  0  0  0
    5.9564   -0.7673   -0.1866 N   0  0  0  0  0
    6.8400   -1.3429    0.8090 C   0  0  0  0  0
    6.9064   -2.8596    0.6533 C   0  0  0  0  0
    7.8302   -3.4974    1.6798 C   0  0  0  0  0
    7.2792   -3.3455    2.9800 O   0  0  0  0  0
    2.4109    4.4043    3.0700 H   0  0  0  0  0
    3.0399    3.0648    4.0253 H   0  0  0  0  0
    0.4518    3.3140    2.6282 H   0  0  0  0  0
    0.9172    2.0961    3.8180 H   0  0  0  0  0
    1.8744    0.6792    2.1824 H   0  0  0  0  0
    0.5188    1.3377    1.2706 H   0  0  0  0  0
    4.1318    2.0989    2.2527 H   0  0  0  0  0
    4.0862    3.6924    1.5315 H   0  0  0  0  0
    2.6394    5.1423    0.7715 H   0  0  0  0  0
    1.4200    6.6702   -0.7017 H   0  0  0  0  0
   -0.4998    3.3752   -2.6389 H   0  0  0  0  0
    0.6986    1.7871   -1.1763 H   0  0  0  0  0
    4.4455    2.7645   -0.7765 H   0  0  0  0  0
    4.4972    0.0651   -2.0386 H   0  0  0  0  0
    6.1438    2.6164   -2.5646 H   0  0  0  0  0
    4.7862    2.0725   -3.5120 H   0  0  0  0  0
    4.9688   -0.0522   -4.9221 H   0  0  0  0  0
    6.5121   -1.3549   -6.3402 H   0  0  0  0  0
    9.8792    0.3408   -4.2656 H   0  0  0  0  0
    8.3545    1.6470   -2.8429 H   0  0  0  0  0
    4.9774   -1.0520   -0.1541 H   0  0  0  0  0
    6.4466   -1.0594    1.7906 H   0  0  0  0  0
    7.8401   -0.9078    0.7063 H   0  0  0  0  0
    7.2591   -3.1086   -0.3549 H   0  0  0  0  0
    5.8968   -3.2766    0.7561 H   0  0  0  0  0
    8.8234   -3.0377    1.6606 H   0  0  0  0  0
    7.9351   -4.5675    1.4739 H   0  0  0  0  0
    7.8551   -3.8341    3.5936 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  4  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  8  9  2  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 42  1  0  0  0
 11 43  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 25  1  0  0  0
 16 17  1  0  0  0
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 25 26  2  0  0  0
 27 28  1  0  0  0
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 28 29  1  0  0  0
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 29 30  1  0  0  0
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 31 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1807276

>  <PubChem CID>
56683608

>  <Formula>
C24H28ClFN2O3

>  <Molecular Weight>
446.947000

>  <IUPAC Name>
N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C24H28ClFN2O3/c25-19-8-4-17(5-9-19)16-21(22(30)27-14-3-15-29)28-23(31)24(12-1-2-13-24)18-6-10-20(26)11-7-18/h4-11,21,29H,1-3,12-16H2,(H,27,30)(H,28,31)/t21-/m1/s1

>  <InChI Key>
BFOCNLAHZCLTJK-OAQYLSRUSA-N

