
 CHEMBL161565

 75 78  0  0  0  0  0  0  0  0999 V2000
    2.6960    8.3851    2.7266 C   0  0  0  0  0
    2.5486    6.9493    2.2149 C   0  0  0  0  0
    1.0679    6.5579    2.2312 C   0  0  0  0  0
    3.1088    6.7726    0.7956 C   0  0  0  0  0
    4.6017    7.0154    0.7038 C   0  0  0  0  0
    5.0770    8.1462    0.6514 O   0  0  0  0  0
    5.3766    5.8832    0.6889 N   0  0  0  0  0
    6.8341    5.9566    0.6155 C   0  0  0  0  0
    7.4073    6.2350    2.0049 C   0  0  0  0  0
    7.3820    4.6083    0.0904 C   0  0  0  0  0
    6.7334    3.5713    0.2759 O   0  0  0  0  0
    8.6487    4.5836   -0.4984 N   0  0  0  0  0
    9.3416    3.2866   -0.4791 C   0  0  0  0  0
   10.6788    3.2272   -1.2464 C   0  0  0  0  0
   11.5366    4.4245   -1.0977 N   0  0  0  0  0
   10.7298    5.5772   -1.5378 C   0  0  0  0  0
    9.4553    5.7944   -0.7083 C   0  0  0  0  0
   12.0418    4.5383    0.2863 C   0  0  0  0  0
   12.9210    5.7738    0.5223 C   0  0  0  0  0
   13.5400    5.7718    1.9196 C   0  0  0  0  0
   12.5041    5.8466    2.9044 O   0  0  0  0  0
   12.9066    5.8707    4.2131 C   0  0  0  0  0
   14.2271    5.8536    4.6548 C   0  0  0  0  0
   14.5080    5.8767    6.0216 C   0  0  0  0  0
   13.4917    5.9138    6.9784 C   0  0  0  0  0
   12.1629    5.9283    6.5315 C   0  0  0  0  0
   11.8775    5.9117    5.1585 C   0  0  0  0  0
   13.8142    5.9152    8.3955 C   0  0  0  0  0
   13.0381    5.3515    9.3366 N   0  0  0  0  0
   13.7739    5.5199   10.5118 O   0  0  0  0  0
   14.9102    6.1959   10.1684 C   0  0  0  0  0
   14.9640    6.4884    8.8895 N   0  0  0  0  0
   15.8580    6.4948   11.2329 C   0  0  0  0  0
   15.9039    5.7413   12.4150 C   0  0  0  0  0
   16.8400    6.0352   13.4109 C   0  0  0  0  0
   17.7345    7.0903   13.2400 C   0  0  0  0  0
   17.7009    7.8475   12.0714 C   0  0  0  0  0
   16.7728    7.5469   11.0713 C   0  0  0  0  0
   15.7989    5.8277    6.3866 F   0  0  0  0  0
    3.7483    8.6562    2.8550 H   0  0  0  0  0
    2.2126    8.5014    3.7032 H   0  0  0  0  0
    2.2385    9.1029    2.0373 H   0  0  0  0  0
    3.0891    6.2872    2.9026 H   0  0  0  0  0
    0.4876    7.1758    1.5365 H   0  0  0  0  0
    0.6386    6.6830    3.2313 H   0  0  0  0  0
    0.9388    5.5104    1.9411 H   0  0  0  0  0
    2.6179    7.4561    0.0913 H   0  0  0  0  0
    2.8944    5.7572    0.4380 H   0  0  0  0  0
    4.9645    4.9561    0.7369 H   0  0  0  0  0
    7.0845    6.7674   -0.0722 H   0  0  0  0  0
    7.1525    5.4266    2.7007 H   0  0  0  0  0
    7.0064    7.1653    2.4200 H   0  0  0  0  0
    8.4966    6.3172    1.9957 H   0  0  0  0  0
    8.6656    2.5182   -0.8725 H   0  0  0  0  0
    9.5164    3.0410    0.5759 H   0  0  0  0  0
   11.2324    2.3260   -0.9546 H   0  0  0  0  0
   10.4619    3.0971   -2.3154 H   0  0  0  0  0
   11.3302    6.4933   -1.5515 H   0  0  0  0  0
   10.4452    5.4181   -2.5874 H   0  0  0  0  0
    9.7262    6.1955    0.2711 H   0  0  0  0  0
    8.8352    6.5418   -1.2125 H   0  0  0  0  0
   12.6476    3.6475    0.4969 H   0  0  0  0  0
   11.2255    4.5382    1.0175 H   0  0  0  0  0
   12.3195    6.6837    0.4188 H   0  0  0  0  0
   13.7225    5.8098   -0.2243 H   0  0  0  0  0
   14.1931    6.6486    2.0045 H   0  0  0  0  0
   14.1280    4.8563    2.0574 H   0  0  0  0  0
   15.0714    5.8163    3.9771 H   0  0  0  0  0
   11.3406    5.9563    7.2445 H   0  0  0  0  0
   10.8406    5.9276    4.8276 H   0  0  0  0  0
   15.2236    4.9059   12.5671 H   0  0  0  0  0
   16.8735    5.4371   14.3186 H   0  0  0  0  0
   18.4609    7.3194   14.0160 H   0  0  0  0  0
   18.3988    8.6697   11.9348 H   0  0  0  0  0
   16.7639    8.1424   10.1592 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 43  1  0  0  0
  3 44  1  0  0  0
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  3 46  1  0  0  0
  4  5  1  0  0  0
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  4 48  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
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  8 10  1  0  0  0
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  9 53  1  0  0  0
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 25 26  1  0  0  0
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 31 32  2  0  0  0
 31 33  1  0  0  0
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 34 35  1  0  0  0
 34 71  1  0  0  0
 35 36  2  0  0  0
 35 72  1  0  0  0
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 37 38  2  0  0  0
 37 74  1  0  0  0
 38 75  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL161565

>  <PubChem CID>
44373941

>  <Formula>
C29H36FN5O4

>  <Molecular Weight>
537.636000

>  <IUPAC Name>
N-[(2R)-1-[4-[3-[3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbutanamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)CC(=O)NC(C)C(=O)N1CCN(CC1)CCCOC2=CC(=C(C=C2)C3=NOC(=N3)C4=CC=CC=C4)F

>  <Isomeric SMILES>
C[C@H](C(=O)N1CCN(CC1)CCCOC2=CC(=C(C=C2)C3=NOC(=N3)C4=CC=CC=C4)F)NC(=O)CC(C)C

>  <InChI Std. ID>
InChI=1S/C29H36FN5O4/c1-20(2)18-26(36)31-21(3)29(37)35-15-13-34(14-16-35)12-7-17-38-23-10-11-24(25(30)19-23)27-32-28(39-33-27)22-8-5-4-6-9-22/h4-6,8-11,19-21H,7,12-18H2,1-3H3,(H,31,36)/t21-/m1/s1

>  <InChI Key>
ARDDCPMFWUUFHR-OAQYLSRUSA-N

