
 CHEMBL3952934

 59 61  0  0  0  0  0  0  0  0999 V2000
    0.7589    1.7887   -0.4150 C   0  0  0  0  0
   -0.2126    1.7756    0.7334 C   0  0  0  0  0
   -0.7321    0.5933    1.3141 C   0  0  0  0  0
   -1.7098    0.6922    2.3342 C   0  0  0  0  0
   -2.1425    1.9606    2.7589 C   0  0  0  0  0
   -1.6144    3.1189    2.2020 C   0  0  0  0  0
   -0.6534    3.0265    1.2028 C   0  0  0  0  0
   -2.2714   -0.5136    3.0427 C   0  0  0  0  0
   -0.2930   -0.6914    0.9062 N   0  0  0  0  0
    1.0869   -1.0774    0.8408 C   0  0  0  0  0
    1.0825   -2.5860    0.5440 C   0  0  0  0  0
   -0.2439   -2.7412   -0.2341 C   0  0  0  0  0
   -1.1057   -1.5883    0.2169 C   0  0  0  0  0
   -2.2886   -1.4748   -0.0666 O   0  0  0  0  0
    1.1167   -3.4232    1.8462 C   0  0  0  0  0
    1.0464   -4.9465    1.6251 C   0  0  0  0  0
    1.1052   -5.7356    2.9293 C   0  0  0  0  0
    0.0340   -5.3469    3.7754 O   0  0  0  0  0
    2.2803   -2.9320   -0.3593 C   0  0  0  0  0
    2.1264   -3.6514   -1.3412 O   0  0  0  0  0
    3.4965   -2.4032    0.0539 N   0  0  0  0  0
    4.7050   -2.3965   -0.6837 C   0  0  0  0  0
    5.7435   -1.5806   -0.2134 C   0  0  0  0  0
    6.9537   -1.4601   -0.9211 C   0  0  0  0  0
    7.1285   -2.2001   -2.1002 C   0  0  0  0  0
    6.1117   -3.0386   -2.5759 C   0  0  0  0  0
    4.9040   -3.1218   -1.8605 C   0  0  0  0  0
    6.2845   -3.8486   -3.8399 C   0  0  0  0  0
    6.1749   -5.1868   -3.6186 F   0  0  0  0  0
    5.3585   -3.5420   -4.7882 F   0  0  0  0  0
    7.4982   -3.6676   -4.4319 F   0  0  0  0  0
    8.0566   -0.5454   -0.4410 C   0  0  0  0  0
    9.1808   -1.2271   -0.0922 F   0  0  0  0  0
    8.4380    0.3506   -1.3921 F   0  0  0  0  0
    7.7099    0.1928    0.6497 F   0  0  0  0  0
    0.4881    1.0387   -1.1651 H   0  0  0  0  0
    1.7772    1.6188   -0.0533 H   0  0  0  0  0
    0.7524    2.7543   -0.9331 H   0  0  0  0  0
   -2.8954    2.0522    3.5392 H   0  0  0  0  0
   -1.9583    4.0933    2.5389 H   0  0  0  0  0
   -0.2657    3.9446    0.7656 H   0  0  0  0  0
   -1.4652   -1.0845    3.5141 H   0  0  0  0  0
   -2.8304   -1.1554    2.3591 H   0  0  0  0  0
   -2.9674   -0.2207    3.8373 H   0  0  0  0  0
    1.5850   -0.8324    1.7858 H   0  0  0  0  0
    1.5811   -0.5425    0.0283 H   0  0  0  0  0
   -0.1096   -2.6312   -1.3163 H   0  0  0  0  0
   -0.7653   -3.6793   -0.0387 H   0  0  0  0  0
    0.2841   -3.1160    2.4919 H   0  0  0  0  0
    2.0369   -3.1993    2.4013 H   0  0  0  0  0
    1.8675   -5.2768    0.9800 H   0  0  0  0  0
    0.1092   -5.2026    1.1212 H   0  0  0  0  0
    2.0496   -5.5589    3.4526 H   0  0  0  0  0
    1.0132   -6.8067    2.7204 H   0  0  0  0  0
    0.0366   -5.9510    4.5382 H   0  0  0  0  0
    3.5132   -1.8760    0.9179 H   0  0  0  0  0
    5.6120   -0.9990    0.6985 H   0  0  0  0  0
    8.0657   -2.1167   -2.6538 H   0  0  0  0  0
    4.1339   -3.7801   -2.2560 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  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 39  1  0  0  0
  6  7  2  0  0  0
  6 40  1  0  0  0
  7 41  1  0  0  0
  8 42  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 45  1  0  0  0
 10 46  1  0  0  0
 11 12  1  0  0  0
 11 19  1  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 47  1  0  0  0
 12 48  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 49  1  0  0  0
 15 50  1  0  0  0
 16 17  1  0  0  0
 16 51  1  0  0  0
 16 52  1  0  0  0
 17 18  1  0  0  0
 17 53  1  0  0  0
 17 54  1  0  0  0
 18 55  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 21 56  1  0  0  0
 22 27  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 23 57  1  0  0  0
 24 25  2  0  0  0
 24 32  1  0  0  0
 25 26  1  0  0  0
 25 58  1  0  0  0
 26 27  2  0  0  0
 26 28  1  0  0  0
 27 59  1  0  0  0
 28 31  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 32 35  1  0  0  0
 32 34  1  0  0  0
 32 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3952934

>  <PubChem CID>
51035111

>  <Formula>
C24H24F6N2O3

>  <Molecular Weight>
502.457000

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

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

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

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

>  <InChI Std. ID>
InChI=1S/C24H24F6N2O3/c1-14-5-3-6-15(2)20(14)32-13-22(7-4-8-33,12-19(32)34)21(35)31-18-10-16(23(25,26)27)9-17(11-18)24(28,29)30/h3,5-6,9-11,33H,4,7-8,12-13H2,1-2H3,(H,31,35)

>  <InChI Key>
ILJGNJDTCYTTFQ-UHFFFAOYSA-N

