
 CHEMBL3915176

 48 51  0  0  0  0  0  0  0  0999 V2000
   -1.4818   -0.3495    0.1166 C   0  0  0  0  0
   -0.9825    0.6070   -0.7622 C   0  0  0  0  0
    0.3983    0.7547   -0.9272 C   0  0  0  0  0
    1.3098   -0.0435   -0.2133 C   0  0  0  0  0
    0.7785   -1.0006    0.6706 C   0  0  0  0  0
   -0.6018   -1.1555    0.8321 C   0  0  0  0  0
    2.7709    0.1211   -0.3745 C   0  0  0  0  0
    3.3546    1.3919   -0.4508 C   0  0  0  0  0
    4.7502    1.5981   -0.5907 C   0  0  0  0  0
    5.6086    0.4628   -0.6024 C   0  0  0  0  0
    5.0028   -0.7956   -0.5746 C   0  0  0  0  0
    3.6177   -0.9920   -0.4689 C   0  0  0  0  0
    5.9943   -1.7353   -0.6777 N   0  0  0  0  0
    7.2362   -1.1534   -0.6803 C   0  0  0  0  0
    7.0391    0.2249   -0.6050 C   0  0  0  0  0
    8.1439    1.2397   -0.4831 C   0  0  0  0  0
    8.5571    1.4503    0.9675 C   0  0  0  0  0
    9.6770    2.4430    1.0464 C   0  0  0  0  0
   10.8666    2.2081    0.9219 O   0  0  0  0  0
    9.2453    3.7014    1.2502 O   0  0  0  0  0
    8.4526   -1.9187   -0.7284 C   0  0  0  0  0
    9.6062   -1.5235   -0.6937 O   0  0  0  0  0
    8.1862   -3.2406   -0.8227 O   0  0  0  0  0
    5.2488    2.9629   -0.7885 C   0  0  0  0  0
    5.7766    3.3546   -2.0311 C   0  0  0  0  0
    6.1821    4.6717   -2.2585 C   0  0  0  0  0
    6.0449    5.6242   -1.2524 C   0  0  0  0  0
    5.5102    5.2590   -0.0186 C   0  0  0  0  0
    5.1166    3.9378    0.2120 C   0  0  0  0  0
   -2.5547   -0.4654    0.2446 H   0  0  0  0  0
   -1.6653    1.2400   -1.3230 H   0  0  0  0  0
    0.7577    1.5013   -1.6327 H   0  0  0  0  0
    1.4420   -1.6305    1.2596 H   0  0  0  0  0
   -0.9862   -1.9023    1.5219 H   0  0  0  0  0
    2.7127    2.2723   -0.4094 H   0  0  0  0  0
    3.2108   -1.9996   -0.4590 H   0  0  0  0  0
    5.8493   -2.7352   -0.7098 H   0  0  0  0  0
    7.8547    2.1942   -0.9240 H   0  0  0  0  0
    9.0094    0.9189   -1.0756 H   0  0  0  0  0
    8.8998    0.5177    1.4310 H   0  0  0  0  0
    7.7160    1.8016    1.5778 H   0  0  0  0  0
   10.0660    4.2363    1.2524 H   0  0  0  0  0
    9.0849   -3.6313   -0.8536 H   0  0  0  0  0
    5.8723    2.6251   -2.8334 H   0  0  0  0  0
    6.5953    4.9525   -3.2236 H   0  0  0  0  0
    6.3479    6.6524   -1.4318 H   0  0  0  0  0
    5.3909    6.0039    0.7637 H   0  0  0  0  0
    4.6902    3.6736    1.1775 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 15  2  0  0  0
 14 21  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 42  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 43  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 44  1  0  0  0
 26 27  2  0  0  0
 26 45  1  0  0  0
 27 28  1  0  0  0
 27 46  1  0  0  0
 28 29  2  0  0  0
 28 47  1  0  0  0
 29 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3915176

>  <PubChem CID>
71281161

>  <Formula>
C24H19NO4

>  <Molecular Weight>
385.419000

>  <IUPAC Name>
3-(2-carboxyethyl)-4,6-diphenyl-1H-indole-2-carboxylic acid

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=CC(=C3C(=C2)NC(=C3CCC(=O)O)C(=O)O)C4=CC=CC=C4

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=CC(=C3C(=C2)NC(=C3CCC(=O)O)C(=O)O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H19NO4/c26-21(27)12-11-18-22-19(16-9-5-2-6-10-16)13-17(15-7-3-1-4-8-15)14-20(22)25-23(18)24(28)29/h1-10,13-14,25H,11-12H2,(H,26,27)(H,28,29)

>  <InChI Key>
SSEVUBMCWYXCTC-UHFFFAOYSA-N

