
 SCHEMBL16584587

 57 59  0  0  0  0  0  0  0  0999 V2000
    3.0080    2.3181    1.7983 Li  0  0  0  0  0
   -2.6152    0.4161   -1.8517 C   0  0  0  0  0
   -2.8943    1.9144   -1.7855 C   0  0  0  0  0
   -2.4564    2.5216   -0.4510 C   0  0  0  0  0
   -1.0589    2.2149   -0.0670 N   0  0  0  0  0
   -0.9119    0.7301   -0.0138 C   0  0  0  0  0
   -1.2033    0.0640   -1.3716 C   0  0  0  0  0
    0.4084    0.2604    0.6855 C   0  0  0  0  0
    1.3102    1.0326    1.0295 O   0  0  0  0  0
    0.3834   -1.1187    0.9395 N   0  0  0  0  0
    1.2524   -1.8871    1.8171 C   0  0  0  0  0
    0.5761   -2.8685    2.7648 C   0  0  0  0  0
    1.3471   -3.3897    1.5958 C   0  0  0  0  0
    2.5039   -1.1880    2.3049 C   0  0  0  0  0
    3.6746   -1.1823    1.5252 C   0  0  0  0  0
    4.7233   -0.3190    1.8199 C   0  0  0  0  0
    4.6048    0.5598    2.8999 C   0  0  0  0  0
    3.5226    0.4505    3.7846 C   0  0  0  0  0
    2.4820   -0.4206    3.4836 C   0  0  0  0  0
    5.3460    1.8487    2.8353 C   0  0  0  0  0
    4.5453    2.7857    2.4779 O   0  0  0  0  0
    6.5959    1.8728    2.9690 O   0  0  0  0  0
   -0.0734    2.8680   -0.9591 C   0  0  0  0  0
   -0.0486    4.3877   -0.9142 C   0  0  0  0  0
    0.5233    5.0827   -1.9920 C   0  0  0  0  0
    0.5002    6.4786   -2.0371 C   0  0  0  0  0
   -0.0906    7.2131   -1.0006 C   0  0  0  0  0
   -0.6036    6.5241    0.1068 C   0  0  0  0  0
   -0.5560    5.1289    0.1614 C   0  0  0  0  0
   -0.2379    8.7109   -1.1025 C   0  0  0  0  0
   -1.4532    9.0701   -1.6035 F   0  0  0  0  0
   -0.1285    9.3430    0.0986 F   0  0  0  0  0
    0.6864    9.2911   -1.9172 F   0  0  0  0  0
   -3.3452   -0.1069   -1.2207 H   0  0  0  0  0
   -2.7690    0.0554   -2.8750 H   0  0  0  0  0
   -3.9677    2.0907   -1.9260 H   0  0  0  0  0
   -2.3892    2.4227   -2.6146 H   0  0  0  0  0
   -2.6432    3.5997   -0.4718 H   0  0  0  0  0
   -3.1167    2.1461    0.3431 H   0  0  0  0  0
   -1.6847    0.3791    0.6889 H   0  0  0  0  0
   -0.4649    0.3677   -2.1226 H   0  0  0  0  0
   -1.1242   -1.0265   -1.3062 H   0  0  0  0  0
   -0.4391   -1.6241    0.6316 H   0  0  0  0  0
   -0.5036   -2.9580    2.7435 H   0  0  0  0  0
    0.9998   -3.0166    3.7530 H   0  0  0  0  0
    0.7988   -3.8347    0.7747 H   0  0  0  0  0
    2.2883   -3.8896    1.8057 H   0  0  0  0  0
    3.7255   -1.7839    0.6205 H   0  0  0  0  0
    5.5712   -0.2299    1.1425 H   0  0  0  0  0
    3.4369    1.1322    4.6282 H   0  0  0  0  0
    1.5942   -0.4216    4.1127 H   0  0  0  0  0
   -0.2364    2.5670   -2.0005 H   0  0  0  0  0
    0.9438    2.5547   -0.7069 H   0  0  0  0  0
    0.9737    4.5382   -2.8203 H   0  0  0  0  0
    0.9278    6.9911   -2.8980 H   0  0  0  0  0
   -1.0645    7.0724    0.9274 H   0  0  0  0  0
   -0.9695    4.6230    1.0319 H   0  0  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 40  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 11 13  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 12 45  1  0  0  0
 13 46  1  0  0  0
 13 47  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 48  1  0  0  0
 16 17  2  0  0  0
 16 49  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 50  1  0  0  0
 19 51  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 23 24  1  0  0  0
 23 52  1  0  0  0
 23 53  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 54  1  0  0  0
 26 27  2  0  0  0
 26 55  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 56  1  0  0  0
 29 57  1  0  0  0
 30 33  1  0  0  0
 30 32  1  0  0  0
 30 31  1  0  0  0
M  CHG  2   1   1  22  -1
M  END

>  <Chemical Name>
SCHEMBL16584587

>  <PubChem CID>
71502400

>  <Formula>
C24H24F3LiN2O3

>  <Molecular Weight>
452.402000

>  <IUPAC Name>
lithium;4-[1-[[(2R)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoate

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
[Li+].C1CCN(C(C1)C(=O)NC2(CC2)C3=CC=C(C=C3)C(=O)[O-])CC4=CC=C(C=C4)C(F)(F)F

>  <Isomeric SMILES>
[Li+].C1CCN([C@H](C1)C(=O)NC2(CC2)C3=CC=C(C=C3)C(=O)[O-])CC4=CC=C(C=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H25F3N2O3.Li/c25-24(26,27)19-8-4-16(5-9-19)15-29-14-2-1-3-20(29)21(30)28-23(12-13-23)18-10-6-17(7-11-18)22(31)32;/h4-11,20H,1-3,12-15H2,(H,28,30)(H,31,32);/q;+1/p-1/t20-;/m1./s1

>  <InChI Key>
BSHBHFXBNAZGIY-VEIFNGETSA-M

