
 CHEMBL519875

 56 59  0  0  0  0  0  0  0  0999 V2000
    1.4891    3.5539   -3.1518 C   0  0  0  0  0
    1.7005    4.4268   -1.9021 C   0  0  0  0  0
    2.0454    5.8594   -2.3413 C   0  0  0  0  0
    0.3979    4.4621   -1.0843 C   0  0  0  0  0
    2.7973    3.8152   -1.0795 C   0  0  0  0  0
    2.7587    2.7367   -0.3287 N   0  0  0  0  0
    4.0506    2.5096    0.0828 N   0  0  0  0  0
    4.8121    3.4514   -0.4326 C   0  0  0  0  0
    4.0552    4.3409   -1.1737 O   0  0  0  0  0
    6.3088    3.5899   -0.2763 C   0  0  0  0  0
    6.8232    4.7678   -0.6424 N   0  0  0  0  0
    8.1327    4.7059   -0.3781 N   0  0  0  0  0
    8.5159    3.4249    0.0125 C   0  0  0  0  0
    7.3292    2.6763    0.1729 C   0  0  0  0  0
    7.2388    1.2076    0.6200 C   0  0  0  0  0
    8.2489    0.8464    1.7302 C   0  0  0  0  0
    5.8804    0.7387    1.1507 C   0  0  0  0  0
    7.5563    0.3701   -0.5038 O   0  0  0  0  0
    9.9118    3.0669    0.2927 C   0  0  0  0  0
   10.6102    3.6942    1.3358 C   0  0  0  0  0
   11.9501    3.3824    1.5785 C   0  0  0  0  0
   12.5915    2.4284    0.7917 C   0  0  0  0  0
   11.9063    1.7859   -0.2377 C   0  0  0  0  0
   10.5700    2.1091   -0.4918 C   0  0  0  0  0
   14.2399    2.0416    1.0948 Cl  0  0  0  0  0
    8.9298    5.8621   -0.6147 C   0  0  0  0  0
    8.5064    7.1344   -0.1842 C   0  0  0  0  0
    9.3072    8.2569   -0.4279 C   0  0  0  0  0
   10.5185    8.1186   -1.0988 C   0  0  0  0  0
   10.9430    6.8677   -1.5365 C   0  0  0  0  0
   10.1511    5.7407   -1.3000 C   0  0  0  0  0
   11.5036    9.5007   -1.3771 Cl  0  0  0  0  0
    7.0965    7.4106    0.7841 Cl  0  0  0  0  0
    1.2197    2.5260   -2.8798 H   0  0  0  0  0
    2.4022    3.4998   -3.7570 H   0  0  0  0  0
    0.6891    3.9514   -3.7860 H   0  0  0  0  0
    2.9459    5.8844   -2.9663 H   0  0  0  0  0
    2.2250    6.5095   -1.4771 H   0  0  0  0  0
    1.2297    6.2997   -2.9266 H   0  0  0  0  0
    0.0930    3.4576   -0.7675 H   0  0  0  0  0
   -0.4258    4.8867   -1.6699 H   0  0  0  0  0
    0.5133    5.0699   -0.1792 H   0  0  0  0  0
    9.2678    0.7480    1.3521 H   0  0  0  0  0
    8.0396   -0.1447    2.1529 H   0  0  0  0  0
    8.2320    1.5712    2.5502 H   0  0  0  0  0
    5.1696    0.5755    0.3373 H   0  0  0  0  0
    5.4734    1.4248    1.9004 H   0  0  0  0  0
    5.9523   -0.2510    1.6194 H   0  0  0  0  0
    6.8391    0.4789   -1.1505 H   0  0  0  0  0
   10.1203    4.4356    1.9641 H   0  0  0  0  0
   12.4841    3.8845    2.3812 H   0  0  0  0  0
   12.4015    1.0293   -0.8410 H   0  0  0  0  0
   10.0402    1.5932   -1.2908 H   0  0  0  0  0
    8.9940    9.2369   -0.0751 H   0  0  0  0  0
   11.8860    6.7622   -2.0683 H   0  0  0  0  0
   10.4910    4.7868   -1.6952 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4 40  1  0  0  0
  4 41  1  0  0  0
  4 42  1  0  0  0
  5  9  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
 10 14  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 13 14  2  0  0  0
 13 19  1  0  0  0
 14 15  1  0  0  0
 15 18  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 16 43  1  0  0  0
 16 44  1  0  0  0
 16 45  1  0  0  0
 17 46  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 18 49  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 50  1  0  0  0
 21 22  2  0  0  0
 21 51  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 52  1  0  0  0
 24 53  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 33  1  0  0  0
 28 29  2  0  0  0
 28 54  1  0  0  0
 29 30  1  0  0  0
 29 32  1  0  0  0
 30 31  2  0  0  0
 30 55  1  0  0  0
 31 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL519875

>  <PubChem CID>
25150618

>  <Formula>
C24H23Cl3N4O2

>  <Molecular Weight>
505.824000

>  <IUPAC Name>
2-[3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-4-yl]propan-2-ol

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C)C1=NN=C(O1)C2=NN(C(=C2C(C)(C)O)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
CC(C)(C)C1=NN=C(O1)C2=NN(C(=C2C(C)(C)O)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C24H23Cl3N4O2/c1-23(2,3)22-29-28-21(33-22)19-18(24(4,5)32)20(13-6-8-14(25)9-7-13)31(30-19)17-11-10-15(26)12-16(17)27/h6-12,32H,1-5H3

>  <InChI Key>
BIDIJTWRJUNRLC-UHFFFAOYSA-N

