
 GTPL9845

 61 65  0  0  0  0  0  0  0  0999 V2000
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    2.4497    0.6519    1.1246 C   0  0  0  0  0
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    1.4891   -8.5777   -1.7628 C   0  0  0  0  0
    2.6449   -8.3822   -2.0917 O   0  0  0  0  0
    1.0294   -9.8212   -1.5352 O   0  0  0  0  0
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   -5.4900    2.3694    0.5312 C   0  0  0  0  0
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   -6.5160    4.6237    0.0629 C   0  0  0  0  0
   -7.7658    4.1337   -0.1691 F   0  0  0  0  0
   -6.5328    5.0951    1.3412 F   0  0  0  0  0
   -6.3932    5.7213   -0.7355 F   0  0  0  0  0
    2.0690   -1.3220    2.0813 H   0  0  0  0  0
    1.6598    0.0980    3.1334 H   0  0  0  0  0
    2.7369    1.6411    1.4642 H   0  0  0  0  0
    3.1412    0.2197    0.4095 H   0  0  0  0  0
    0.2695    1.9523    2.2346 H   0  0  0  0  0
   -0.0959    2.1117    0.5216 H   0  0  0  0  0
   -1.3492    0.1467    2.5152 H   0  0  0  0  0
   -2.1331    1.5424    1.8432 H   0  0  0  0  0
   -0.7478   -1.7507    1.1629 H   0  0  0  0  0
    1.2302   -1.4142   -0.2599 H   0  0  0  0  0
    0.4977   -0.0349   -1.0549 H   0  0  0  0  0
   -2.2863   -3.2259    0.6527 H   0  0  0  0  0
   -4.6177   -4.0396   -0.3694 H   0  0  0  0  0
   -4.3465   -5.6946   -1.0488 H   0  0  0  0  0
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    1.6537   -6.0216   -2.5382 H   0  0  0  0  0
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    1.8059  -10.3930   -1.7133 H   0  0  0  0  0
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   -2.5456    3.0809   -1.8857 H   0  0  0  0  0
   -4.3107    4.7620   -1.5870 H   0  0  0  0  0
   -6.3123    2.1604    1.2140 H   0  0  0  0  0
   -4.5544    0.4661    0.8924 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  7 43  1  0  0  0
  8 44  1  0  0  0
  8 45  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
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 31 32  1  0  0  0
M  END

>  <Chemical Name>
GTPL9845

>  <PubChem CID>
133081958

>  <Formula>
C26H27F3N2O3

>  <Molecular Weight>
472.508000

>  <IUPAC Name>
4-[1-[[(7R)-6-[[4-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-7-carbonyl]amino]cyclopropyl]benzoic acid

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC12CCN(C(C2)C(=O)NC3(CC3)C4=CC=C(C=C4)C(=O)O)CC5=CC=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1CC12CCN([C@H](C2)C(=O)NC3(CC3)C4=CC=C(C=C4)C(=O)O)CC5=CC=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H27F3N2O3/c27-26(28,29)20-5-1-17(2-6-20)16-31-14-13-24(9-10-24)15-21(31)22(32)30-25(11-12-25)19-7-3-18(4-8-19)23(33)34/h1-8,21H,9-16H2,(H,30,32)(H,33,34)/t21-/m1/s1

>  <InChI Key>
CADWTPLFEZSAHM-OAQYLSRUSA-N

