
 CHEMBL3941195

 63 65  0  0  0  0  0  0  0  0999 V2000
    1.3564    0.3631   -0.1497 C   0  0  0  0  0
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    6.1532   -4.9914   -4.1279 F   0  0  0  0  0
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    5.7225    1.8390   -5.5401 F   0  0  0  0  0
    4.2103    1.7225    3.6609 C   0  0  0  0  0
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    5.8336    3.0649    4.8922 C   0  0  0  0  0
    4.9216    3.2582    5.9224 C   0  0  0  0  0
    3.6669    2.6692    5.8484 C   0  0  0  0  0
    3.3048    1.8809    4.7414 C   0  0  0  0  0
    1.9545    1.2119    4.7880 C   0  0  0  0  0
    6.5322    2.2392    2.6642 C   0  0  0  0  0
    1.4015   -0.3078   -1.0121 H   0  0  0  0  0
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    3.2926    1.2149   -0.2202 H   0  0  0  0  0
    5.3886    0.4247    1.3014 H   0  0  0  0  0
    4.9465   -0.7240    2.5932 H   0  0  0  0  0
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    3.4870   -2.5729    1.9493 H   0  0  0  0  0
    2.4367   -2.6420   -1.0576 H   0  0  0  0  0
    1.2233   -3.8213   -0.6569 H   0  0  0  0  0
    2.8508   -3.9973    0.0261 H   0  0  0  0  0
    0.5418   -2.7291    2.6906 H   0  0  0  0  0
    1.5611   -4.1180    2.2477 H   0  0  0  0  0
    0.0567   -3.7733    1.3657 H   0  0  0  0  0
    4.0339    0.2005   -1.5631 H   0  0  0  0  0
    4.9569    0.8743   -3.4892 H   0  0  0  0  0
    7.2456   -1.9096   -5.8289 H   0  0  0  0  0
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    1.2088    1.7920    4.2404 H   0  0  0  0  0
    1.6022    1.1163    5.8225 H   0  0  0  0  0
    6.9697    1.2372    2.6199 H   0  0  0  0  0
    7.3562    2.9402    2.8437 H   0  0  0  0  0
    6.0988    2.5156    1.6983 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  7  1  0  0  0
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  5  6  1  0  0  0
  5 29  1  0  0  0
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  7 12  1  0  0  0
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  8  9  1  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3941195

>  <PubChem CID>
51034567

>  <Formula>
C25H27F6N3O2

>  <Molecular Weight>
515.500000

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

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1C(=O)N(CC1(CN(C)C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(C=CC=C3C)C

>  <Isomeric SMILES>
C[C@@H]1C(=O)N(C[C@@]1(CN(C)C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(C=CC=C3C)C

>  <InChI Std. ID>
InChI=1S/C25H27F6N3O2/c1-14-7-6-8-15(2)20(14)34-13-23(12-33(4)5,16(3)21(34)35)22(36)32-19-10-17(24(26,27)28)9-18(11-19)25(29,30)31/h6-11,16H,12-13H2,1-5H3,(H,32,36)/t16-,23-/m1/s1

>  <InChI Key>
KEIRCJWVHDGZCL-WAIKUNEKSA-N

