
 D0GC5Y

 60 63  0  0  0  0  0  0  0  0999 V2000
   -0.1101    1.9960   -1.4684 C   0  0  0  0  0
    0.0818    0.7127   -0.9832 C   0  0  0  0  0
   -1.0343   -0.1026   -0.7318 C   0  0  0  0  0
   -2.3209    0.4061   -0.9835 C   0  0  0  0  0
   -2.4957    1.6395   -1.4571 N   0  0  0  0  0
   -1.4076    2.4108   -1.6879 C   0  0  0  0  0
   -3.4075   -0.3389   -0.7514 N   0  0  0  0  0
   -3.2761   -1.5873   -0.2433 C   0  0  0  0  0
   -2.0375   -2.1612    0.0070 C   0  0  0  0  0
   -0.9001   -1.4049   -0.2372 C   0  0  0  0  0
   -4.5388   -2.3850   -0.0134 C   0  0  0  0  0
   -5.7499   -1.5147    0.3387 C   0  0  0  0  0
   -6.9833   -2.3659    0.6194 C   0  0  0  0  0
   -8.1811   -1.4979    0.9398 C   0  0  0  0  0
   -8.5755   -1.3235    2.0875 O   0  0  0  0  0
   -8.7712   -0.9316   -0.1676 N   0  0  0  0  0
   -9.9324   -0.0737   -0.0691 C   0  0  0  0  0
  -11.2275   -0.8507    0.1722 C   0  0  0  0  0
  -11.5599   -1.8197   -0.9670 C   0  0  0  0  0
  -12.8635   -2.5696   -0.6897 C   0  0  0  0  0
  -13.1805   -3.5337   -1.7703 C   0  0  0  0  0
  -12.4924   -4.5666   -2.2084 N   0  0  0  0  0
  -13.2514   -5.1430   -3.2077 N   0  0  0  0  0
  -14.3509   -4.4244   -3.3074 C   0  0  0  0  0
  -14.3725   -3.3761   -2.4225 O   0  0  0  0  0
  -15.5109   -4.5887   -4.1754 C   0  0  0  0  0
  -16.5851   -3.6916   -4.1354 C   0  0  0  0  0
  -17.7007   -3.8812   -4.9545 C   0  0  0  0  0
  -17.7784   -4.9787   -5.8233 C   0  0  0  0  0
  -16.6932   -5.8537   -5.9024 C   0  0  0  0  0
  -15.5756   -5.6646   -5.0756 C   0  0  0  0  0
  -18.9118   -5.0883   -6.5782 O   0  0  0  0  0
  -19.3826   -6.3908   -6.8803 C   0  0  0  0  0
  -20.7334   -6.3688   -6.8950 F   0  0  0  0  0
  -18.9486   -6.7597   -8.1042 F   0  0  0  0  0
  -18.9922   -7.3151   -5.9752 F   0  0  0  0  0
  -18.9906   -2.7345   -4.8445 Cl  0  0  0  0  0
    0.7262    2.6559   -1.6698 H   0  0  0  0  0
    1.0901    0.3506   -0.7978 H   0  0  0  0  0
   -1.6237    3.4051   -2.0666 H   0  0  0  0  0
   -1.9532   -3.1731    0.3891 H   0  0  0  0  0
    0.0805   -1.8297   -0.0404 H   0  0  0  0  0
   -4.3689   -3.0987    0.8027 H   0  0  0  0  0
   -4.7462   -2.9656   -0.9201 H   0  0  0  0  0
   -5.9628   -0.8160   -0.4805 H   0  0  0  0  0
   -5.5238   -0.8973    1.2182 H   0  0  0  0  0
   -6.8082   -3.0365    1.4685 H   0  0  0  0  0
   -7.2242   -2.9979   -0.2436 H   0  0  0  0  0
   -8.3853   -1.1213   -1.0841 H   0  0  0  0  0
   -9.9956    0.4998   -0.9998 H   0  0  0  0  0
   -9.7714    0.6325    0.7532 H   0  0  0  0  0
  -12.0483   -0.1323    0.2876 H   0  0  0  0  0
  -11.1575   -1.4079    1.1143 H   0  0  0  0  0
  -10.7431   -2.5410   -1.0932 H   0  0  0  0  0
  -11.6420   -1.2656   -1.9106 H   0  0  0  0  0
  -13.6847   -1.8516   -0.5784 H   0  0  0  0  0
  -12.7864   -3.1166    0.2572 H   0  0  0  0  0
  -16.5639   -2.8387   -3.4595 H   0  0  0  0  0
  -16.6868   -6.6920   -6.5940 H   0  0  0  0  0
  -14.7476   -6.3716   -5.1374 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  3 10  1  0  0  0
  3  4  2  0  0  0
  4  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6 40  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 41  1  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 11 44  1  0  0  0
 12 13  1  0  0  0
 12 45  1  0  0  0
 12 46  1  0  0  0
 13 14  1  0  0  0
 13 47  1  0  0  0
 13 48  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 49  1  0  0  0
 17 18  1  0  0  0
 17 50  1  0  0  0
 17 51  1  0  0  0
 18 19  1  0  0  0
 18 52  1  0  0  0
 18 53  1  0  0  0
 19 20  1  0  0  0
 19 54  1  0  0  0
 19 55  1  0  0  0
 20 21  1  0  0  0
 20 56  1  0  0  0
 20 57  1  0  0  0
 21 25  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 26  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 58  1  0  0  0
 28 29  2  0  0  0
 28 37  1  0  0  0
 29 30  1  0  0  0
 29 32  1  0  0  0
 30 31  2  0  0  0
 30 59  1  0  0  0
 31 60  1  0  0  0
 32 33  1  0  0  0
 33 36  1  0  0  0
 33 35  1  0  0  0
 33 34  1  0  0  0
M  END

>  <Chemical Name>
D0GC5Y

>  <PubChem CID>
73755126

>  <Formula>
C25H23ClF3N5O3

>  <Molecular Weight>
533.936000

>  <IUPAC Name>
N-[4-[5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butyl]-4-(1,8-naphthyridin-2-yl)butanamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1=CC2=C(N=C1)N=C(C=C2)CCCC(=O)NCCCCC3=NN=C(O3)C4=CC(=C(C=C4)OC(F)(F)F)Cl

>  <Isomeric SMILES>
C1=CC2=C(N=C1)N=C(C=C2)CCCC(=O)NCCCCC3=NN=C(O3)C4=CC(=C(C=C4)OC(F)(F)F)Cl

>  <InChI Std. ID>
InChI=1S/C25H23ClF3N5O3/c26-19-15-17(10-12-20(19)37-25(27,28)29)24-34-33-22(36-24)8-1-2-13-30-21(35)7-3-6-18-11-9-16-5-4-14-31-23(16)32-18/h4-5,9-12,14-15H,1-3,6-8,13H2,(H,30,35)

>  <InChI Key>
RCSBCWXPGSPJNF-UHFFFAOYSA-N

