
 CHEMBL3986752

 53 56  0  0  0  0  0  0  0  0999 V2000
   -0.4691    0.7162    2.2605 C   0  0  0  0  0
   -0.1433    1.3683    0.9519 C   0  0  0  0  0
    0.9440    0.6567    1.7222 C   0  0  0  0  0
    1.4665   -0.6818    1.3056 C   0  0  0  0  0
    2.8335   -0.6535    0.7820 N   0  0  0  0  0
    3.0295   -0.0293   -0.5320 C   0  0  0  0  0
    3.4224    1.4353   -0.4855 C   0  0  0  0  0
    4.7248    1.8257   -0.1349 C   0  0  0  0  0
    5.1007    3.1745   -0.1502 C   0  0  0  0  0
    4.1724    4.1566   -0.5059 C   0  0  0  0  0
    2.8676    3.7821   -0.8399 C   0  0  0  0  0
    2.5040    2.4319   -0.8438 C   0  0  0  0  0
    4.5225    5.5973   -0.5644 C   0  0  0  0  0
    3.7365    6.5203   -0.6679 O   0  0  0  0  0
    5.8512    5.8079   -0.5485 O   0  0  0  0  0
    3.9511   -1.2713    1.3602 C   0  0  0  0  0
    5.0497   -1.3064    0.8012 O   0  0  0  0  0
    3.9081   -1.8700    2.7190 C   0  0  0  0  0
    4.9221   -1.4931    3.6114 C   0  0  0  0  0
    4.9568   -2.0115    4.9075 C   0  0  0  0  0
    3.9461   -2.8734    5.3361 C   0  0  0  0  0
    2.9917   -3.3273    4.4223 C   0  0  0  0  0
    2.9917   -2.8519    3.1057 C   0  0  0  0  0
    3.8559   -3.3746    6.6150 O   0  0  0  0  0
    4.2204   -2.5748    7.6758 C   0  0  0  0  0
    4.8555   -3.2220    8.7395 C   0  0  0  0  0
    5.2628   -2.4967    9.8629 C   0  0  0  0  0
    5.0331   -1.1220    9.9307 C   0  0  0  0  0
    4.3677   -0.4779    8.8886 C   0  0  0  0  0
    3.9445   -1.2080    7.7800 C   0  0  0  0  0
    3.2659   -0.5607    6.8212 F   0  0  0  0  0
   -0.6607    1.3538    3.1159 H   0  0  0  0  0
   -1.0807   -0.1798    2.2349 H   0  0  0  0  0
   -0.1220    2.4524    0.9280 H   0  0  0  0  0
   -0.5275    0.9126    0.0467 H   0  0  0  0  0
    1.6856    1.2446    2.2508 H   0  0  0  0  0
    0.8318   -1.1377    0.5353 H   0  0  0  0  0
    1.3882   -1.3209    2.1788 H   0  0  0  0  0
    2.1125   -0.1583   -1.1201 H   0  0  0  0  0
    3.8051   -0.5707   -1.0886 H   0  0  0  0  0
    5.4681    1.0756    0.1309 H   0  0  0  0  0
    6.1218    3.4442    0.1099 H   0  0  0  0  0
    2.1345    4.5367   -1.1158 H   0  0  0  0  0
    1.4932    2.1649   -1.1417 H   0  0  0  0  0
    5.9353    6.7795   -0.6517 H   0  0  0  0  0
    5.6943   -0.7950    3.2938 H   0  0  0  0  0
    5.7622   -1.7152    5.5731 H   0  0  0  0  0
    2.2432   -4.0499    4.7375 H   0  0  0  0  0
    2.2697   -3.2505    2.3994 H   0  0  0  0  0
    5.0375   -4.2929    8.6923 H   0  0  0  0  0
    5.7609   -3.0051   10.6854 H   0  0  0  0  0
    5.3611   -0.5559   10.7991 H   0  0  0  0  0
    4.1694    0.5886    8.9327 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  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
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5 16  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  9 10  2  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 43  1  0  0  0
 12 44  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 45  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 48  1  0  0  0
 23 49  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 50  1  0  0  0
 27 28  2  0  0  0
 27 51  1  0  0  0
 28 29  1  0  0  0
 28 52  1  0  0  0
 29 30  2  0  0  0
 29 53  1  0  0  0
 30 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3986752

>  <PubChem CID>
90659729

>  <Formula>
C25H22FNO4

>  <Molecular Weight>
419.452000

>  <IUPAC Name>
4-[[cyclopropylmethyl-[4-(2-fluorophenoxy)benzoyl]amino]methyl]benzoic acid

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC1CN(CC2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4F

>  <Isomeric SMILES>
C1CC1CN(CC2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C25H22FNO4/c26-22-3-1-2-4-23(22)31-21-13-11-19(12-14-21)24(28)27(15-17-5-6-17)16-18-7-9-20(10-8-18)25(29)30/h1-4,7-14,17H,5-6,15-16H2,(H,29,30)

>  <InChI Key>
LEZVXIZCJXKBJY-UHFFFAOYSA-N

