
 CHEMBL3971623

 50 52  0  0  0  0  0  0  0  0999 V2000
    6.1887   -0.5833   -0.3367 C   0  0  0  0  0
    4.9371    0.2370   -0.1807 C   0  0  0  0  0
    3.6420   -0.3126   -0.3266 C   0  0  0  0  0
    2.5068    0.5151   -0.1487 C   0  0  0  0  0
    2.6898    1.8840    0.1152 C   0  0  0  0  0
    3.9642    2.4232    0.2507 C   0  0  0  0  0
    5.0789    1.6028    0.1181 C   0  0  0  0  0
    1.0895    0.0076   -0.1994 C   0  0  0  0  0
    3.5164   -1.7014   -0.6056 N   0  0  0  0  0
    3.6437   -2.6415    0.4873 C   0  0  0  0  0
    3.2658   -3.9905   -0.1303 C   0  0  0  0  0
    2.3051   -3.6291   -1.2575 C   0  0  0  0  0
    2.6677   -2.2041   -1.5943 C   0  0  0  0  0
    2.2588   -1.6258   -2.5905 O   0  0  0  0  0
    2.5615   -4.8688    0.9198 C   0  0  0  0  0
    1.9013   -4.3712    1.8295 O   0  0  0  0  0
    2.6952   -6.2257    0.6658 N   0  0  0  0  0
    2.2333   -7.2906    1.4690 C   0  0  0  0  0
    2.4303   -8.5981    1.0072 C   0  0  0  0  0
    2.0155   -9.7078    1.7681 C   0  0  0  0  0
    1.4079   -9.4921    3.0154 C   0  0  0  0  0
    1.2111   -8.1931    3.4994 C   0  0  0  0  0
    1.6189   -7.1042    2.7105 C   0  0  0  0  0
    0.5841   -7.9362    4.8495 C   0  0  0  0  0
    1.3916   -7.2061    5.6672 F   0  0  0  0  0
   -0.5864   -7.2483    4.7604 F   0  0  0  0  0
    0.2957   -9.0773    5.5356 F   0  0  0  0  0
    2.2124  -11.1212    1.2725 C   0  0  0  0  0
    2.9624  -11.8693    2.1275 F   0  0  0  0  0
    1.0342  -11.7871    1.1267 F   0  0  0  0  0
    2.8365  -11.1931    0.0649 F   0  0  0  0  0
    4.4063   -4.6594   -0.6866 O   0  0  0  0  0
    6.1103   -1.2629   -1.1909 H   0  0  0  0  0
    6.3813   -1.1567    0.5746 H   0  0  0  0  0
    7.0603    0.0552   -0.5197 H   0  0  0  0  0
    1.8289    2.5396    0.2336 H   0  0  0  0  0
    4.0869    3.4820    0.4639 H   0  0  0  0  0
    6.0678    2.0421    0.2332 H   0  0  0  0  0
    0.9919   -0.9395    0.3402 H   0  0  0  0  0
    0.7564   -0.1128   -1.2330 H   0  0  0  0  0
    0.4015    0.7090    0.2867 H   0  0  0  0  0
    2.9662   -2.3224    1.2868 H   0  0  0  0  0
    4.6698   -2.6455    0.8649 H   0  0  0  0  0
    2.4444   -4.2570   -2.1428 H   0  0  0  0  0
    1.2557   -3.6451   -0.9453 H   0  0  0  0  0
    3.2581   -6.4551   -0.1511 H   0  0  0  0  0
    2.9058   -8.7683    0.0419 H   0  0  0  0  0
    1.0914  -10.3474    3.6154 H   0  0  0  0  0
    1.4571   -6.1090    3.1173 H   0  0  0  0  0
    4.9464   -3.9898   -1.1494 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 37  1  0  0  0
  7 38  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 10 43  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 12 45  1  0  0  0
 13 14  2  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 20 21  2  0  0  0
 20 28  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 23 49  1  0  0  0
 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
 28 31  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 32 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3971623

>  <PubChem CID>
51034887

>  <Formula>
C21H18F6N2O3

>  <Molecular Weight>
460.376000

>  <IUPAC Name>
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-hydroxy-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)N2CC(CC2=O)(C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)N2CC(CC2=O)(C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O

>  <InChI Std. ID>
InChI=1S/C21H18F6N2O3/c1-11-4-3-5-12(2)17(11)29-10-19(32,9-16(29)30)18(31)28-15-7-13(20(22,23)24)6-14(8-15)21(25,26)27/h3-8,32H,9-10H2,1-2H3,(H,28,31)

>  <InChI Key>
DLHQNZADUHNSLA-UHFFFAOYSA-N

