
 CHEMBL3941761

 66 68  0  0  0  0  0  0  0  0999 V2000
    3.6940    4.6481   -2.9496 C   0  0  0  0  0
    4.7873    3.7089   -2.4347 C   0  0  0  0  0
    5.8321    4.3095   -1.5624 N   0  0  0  0  0
    6.6458    5.2470   -2.3394 C   0  0  0  0  0
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    5.7275    7.7360    0.8928 N   0  0  0  0  0
    4.7189    7.2055    1.6939 C   0  0  0  0  0
    3.7264    7.7782    2.1183 O   0  0  0  0  0
    5.0500    5.7560    1.9946 C   0  0  0  0  0
    5.4767    5.6814    3.4582 C   0  0  0  0  0
    6.0204    9.1256    0.8525 C   0  0  0  0  0
    6.0866    9.7803   -0.3988 C   0  0  0  0  0
    6.3178   11.1660   -0.4416 C   0  0  0  0  0
    6.4688   11.9030    0.7265 C   0  0  0  0  0
    6.4238   11.2591    1.9581 C   0  0  0  0  0
    6.2214    9.8711    2.0402 C   0  0  0  0  0
    6.2770    9.2477    3.4095 C   0  0  0  0  0
    5.8933    9.0586   -1.7024 C   0  0  0  0  0
    7.1826    4.4124    1.3218 C   0  0  0  0  0
    7.6925    4.5320    2.4350 O   0  0  0  0  0
    7.6343    3.5015    0.3880 N   0  0  0  0  0
    8.7123    2.5989    0.5363 C   0  0  0  0  0
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    9.8815    0.6323   -0.3264 C   0  0  0  0  0
   10.7989    0.7177    0.7340 C   0  0  0  0  0
   10.6960    1.7377    1.6869 C   0  0  0  0  0
    9.6488    2.6699    1.5743 C   0  0  0  0  0
   11.6793    1.8597    2.8263 C   0  0  0  0  0
   12.3594    3.0391    2.8040 F   0  0  0  0  0
   11.0817    1.7902    4.0467 F   0  0  0  0  0
   12.6307    0.8837    2.8222 F   0  0  0  0  0
    9.9989   -0.4952   -1.3232 C   0  0  0  0  0
   11.2557   -0.6117   -1.8332 F   0  0  0  0  0
    9.7049   -1.7036   -0.7709 F   0  0  0  0  0
    9.1710   -0.3621   -2.3970 F   0  0  0  0  0
    3.0644    4.1230   -3.6756 H   0  0  0  0  0
    4.1075    5.5276   -3.4515 H   0  0  0  0  0
    3.0392    4.9872   -2.1406 H   0  0  0  0  0
    5.2763    3.2360   -3.2959 H   0  0  0  0  0
    4.3092    2.8829   -1.8929 H   0  0  0  0  0
    6.9405    4.8079   -3.2990 H   0  0  0  0  0
    7.5851    5.4570   -1.8214 H   0  0  0  0  0
    6.1258    6.1875   -2.5411 H   0  0  0  0  0
    4.5666    4.1127    0.0528 H   0  0  0  0  0
    4.5513    5.7227   -0.6518 H   0  0  0  0  0
    7.1681    6.8897   -0.3587 H   0  0  0  0  0
    7.5749    6.9287    1.3552 H   0  0  0  0  0
    4.1285    5.1716    1.8847 H   0  0  0  0  0
    6.4096    6.2186    3.6467 H   0  0  0  0  0
    5.5927    4.6419    3.7818 H   0  0  0  0  0
    4.7181    6.1360    4.1062 H   0  0  0  0  0
    6.3588   11.6889   -1.3960 H   0  0  0  0  0
    6.6241   12.9777    0.6813 H   0  0  0  0  0
    6.5566   11.8487    2.8626 H   0  0  0  0  0
    5.2875    8.9299    3.7438 H   0  0  0  0  0
    6.6554    9.9555    4.1557 H   0  0  0  0  0
    6.9704    8.4027    3.4102 H   0  0  0  0  0
    5.0041    8.4213   -1.6699 H   0  0  0  0  0
    6.7768    8.4577   -1.9344 H   0  0  0  0  0
    5.7520    9.7615   -2.5319 H   0  0  0  0  0
    7.0802    3.4181   -0.4672 H   0  0  0  0  0
    8.1319    1.5123   -1.2382 H   0  0  0  0  0
   11.5967   -0.0187    0.8121 H   0  0  0  0  0
    9.6046    3.4598    2.3197 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  1  0  0  0
  2 41  1  0  0  0
  2 42  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  4 43  1  0  0  0
  4 44  1  0  0  0
  4 45  1  0  0  0
  5  6  1  0  0  0
  5 46  1  0  0  0
  5 47  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7  8  1  0  0  0
  7 48  1  0  0  0
  7 49  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
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  9 10  2  0  0  0
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 34 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3941761

>  <PubChem CID>
88971016

>  <Formula>
C26H29F6N3O2

>  <Molecular Weight>
529.527000

>  <IUPAC Name>
(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-[[ethyl(methyl)amino]methyl]-4-methyl-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCN(C)CC1(CN(C(=O)C1C)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CCN(C)C[C@]1(CN(C(=O)[C@H]1C)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H29F6N3O2/c1-6-34(5)13-24(14-35(22(36)17(24)4)21-15(2)8-7-9-16(21)3)23(37)33-20-11-18(25(27,28)29)10-19(12-20)26(30,31)32/h7-12,17H,6,13-14H2,1-5H3,(H,33,37)/t17-,24-/m1/s1

>  <InChI Key>
LDFYKQPNYPZUHZ-MZNJEOGPSA-N

