
 UNII-86KF5VSV88

 56 60  0  0  0  0  0  0  0  0999 V2000
    7.0376   -1.1510    0.4279 C   0  0  0  0  0
    6.8537   -1.0510    1.9022 C   0  0  0  0  0
    6.0998   -0.0852    1.0055 C   0  0  0  0  0
    6.6051    1.3508    0.8252 C   0  0  0  0  0
    6.5668    1.9655   -0.4435 C   0  0  0  0  0
    7.0862    3.2454   -0.6628 C   0  0  0  0  0
    7.6754    3.9463    0.3901 C   0  0  0  0  0
    7.7157    3.3667    1.6621 C   0  0  0  0  0
    7.1709    2.0932    1.8762 C   0  0  0  0  0
    8.2809    5.2859    0.1977 C   0  0  0  0  0
    8.9707    5.8802    1.0047 O   0  0  0  0  0
    7.9693    5.8289   -0.9929 O   0  0  0  0  0
    4.7088   -0.2457    0.6764 N   0  0  0  0  0
    3.6144   -0.4662    1.4758 C   0  0  0  0  0
    2.4955   -0.5746    0.9842 O   0  0  0  0  0
    3.7890   -0.6339    2.9201 C   0  0  0  0  0
    3.8722   -1.9524    3.3986 C   0  0  0  0  0
    4.1341   -2.2091    4.7373 C   0  0  0  0  0
    4.3280   -1.1506    5.6262 C   0  0  0  0  0
    4.1958    0.1813    5.1787 C   0  0  0  0  0
    3.8708    0.4336    3.8351 C   0  0  0  0  0
    3.6329    1.7962    3.7486 N   0  0  0  0  0
    4.0328    2.4116    4.9157 C   0  0  0  0  0
    4.3377    1.4338    5.8294 C   0  0  0  0  0
    2.9105    2.5109    2.6973 C   0  0  0  0  0
    1.4424    2.6447    3.0515 C   0  0  0  0  0
    0.9801    3.7370    3.8013 C   0  0  0  0  0
   -0.3612    3.8220    4.1910 C   0  0  0  0  0
   -1.2725    2.8168    3.8396 C   0  0  0  0  0
   -0.8151    1.7326    3.0791 C   0  0  0  0  0
    0.5252    1.6479    2.6925 C   0  0  0  0  0
   -2.7165    2.8768    4.2716 C   0  0  0  0  0
   -3.5775    2.9090    3.2162 F   0  0  0  0  0
   -3.0851    1.7994    5.0198 F   0  0  0  0  0
   -3.0157    3.9714    5.0270 F   0  0  0  0  0
    7.9970   -0.8475    0.0234 H   0  0  0  0  0
    6.6019   -2.0068   -0.0748 H   0  0  0  0  0
    7.6888   -0.6866    2.4900 H   0  0  0  0  0
    6.3422   -1.8754    2.3784 H   0  0  0  0  0
    6.1408    1.4253   -1.2872 H   0  0  0  0  0
    7.0437    3.6725   -1.6620 H   0  0  0  0  0
    8.1798    3.8976    2.4913 H   0  0  0  0  0
    7.2180    1.6651    2.8762 H   0  0  0  0  0
    8.4084    6.7052   -0.9754 H   0  0  0  0  0
    4.4619   -0.1763   -0.3036 H   0  0  0  0  0
    3.7531   -2.7837    2.7059 H   0  0  0  0  0
    4.2080   -3.2342    5.0912 H   0  0  0  0  0
    4.5580   -1.3536    6.6688 H   0  0  0  0  0
    3.9828    3.4869    5.0264 H   0  0  0  0  0
    4.6091    1.5985    6.8639 H   0  0  0  0  0
    3.0483    2.0041    1.7416 H   0  0  0  0  0
    3.3743    3.4997    2.5946 H   0  0  0  0  0
    1.6661    4.5241    4.1076 H   0  0  0  0  0
   -0.6883    4.6744    4.7851 H   0  0  0  0  0
   -1.5002    0.9351    2.7933 H   0  0  0  0  0
    0.8453    0.7813    2.1187 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3 13  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  6  7  2  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 42  1  0  0  0
  9 43  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 44  1  0  0  0
 13 14  1  0  0  0
 13 45  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 18 19  2  0  0  0
 18 47  1  0  0  0
 19 20  1  0  0  0
 19 48  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 49  1  0  0  0
 24 50  1  0  0  0
 25 26  1  0  0  0
 25 51  1  0  0  0
 25 52  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 53  1  0  0  0
 28 29  2  0  0  0
 28 54  1  0  0  0
 29 30  1  0  0  0
 29 32  1  0  0  0
 30 31  2  0  0  0
 30 55  1  0  0  0
 31 56  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>
UNII-86KF5VSV88

>  <PubChem CID>
25003075

>  <Formula>
C27H21F3N2O3

>  <Molecular Weight>
478.471000

>  <IUPAC Name>
4-[1-[[1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]cyclopropyl]benzoic acid

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1(C2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CC4=C3N(C=C4)CC5=CC=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1CC1(C2=CC=C(C=C2)C(=O)O)NC(=O)C3=CC=CC4=C3N(C=C4)CC5=CC=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C27H21F3N2O3/c28-27(29,30)21-8-4-17(5-9-21)16-32-15-12-18-2-1-3-22(23(18)32)24(33)31-26(13-14-26)20-10-6-19(7-11-20)25(34)35/h1-12,15H,13-14,16H2,(H,31,33)(H,34,35)

>  <InChI Key>
BWXAZFCPGFKANL-UHFFFAOYSA-N

