
 CHEMBL3260433

 39 41  0  0  0  0  0  0  0  0999 V2000
    8.1895    3.4927    1.3681 C   0  0  0  0  0
    7.1069    2.4873    1.3302 C   0  0  0  0  0
    5.7731    2.5116    0.9701 C   0  0  0  0  0
    5.2971    1.1904    1.1606 C   0  0  0  0  0
    6.3545    0.4405    1.6405 C   0  0  0  0  0
    7.4626    1.2372    1.7392 O   0  0  0  0  0
    6.4237   -0.9453    2.0166 C   0  0  0  0  0
    5.5220   -1.7717    1.9972 O   0  0  0  0  0
    7.6586   -1.3061    2.4367 O   0  0  0  0  0
    5.1047    3.6425    0.5269 N   0  0  0  0  0
    3.7678    3.6774    0.1713 C   0  0  0  0  0
    2.9918    2.7286    0.1964 O   0  0  0  0  0
    3.2488    5.0183   -0.2311 C   0  0  0  0  0
    1.8983    5.2999   -0.0030 C   0  0  0  0  0
    1.3724    6.5563   -0.3257 C   0  0  0  0  0
    2.1765    7.5682   -0.8800 C   0  0  0  0  0
    3.5253    7.2528   -1.1322 C   0  0  0  0  0
    4.0561    5.9926   -0.8240 C   0  0  0  0  0
    1.6306    8.9121   -1.1765 C   0  0  0  0  0
    0.7094    9.5315   -0.3112 C   0  0  0  0  0
    0.1989   10.8057   -0.5783 C   0  0  0  0  0
    0.6059   11.4949   -1.7157 C   0  0  0  0  0
    1.5169   10.9079   -2.5882 C   0  0  0  0  0
    2.0184    9.6290   -2.3233 C   0  0  0  0  0
    7.9176    4.3955    0.8139 H   0  0  0  0  0
    9.1041    3.0893    0.9214 H   0  0  0  0  0
    8.4070    3.7773    2.4014 H   0  0  0  0  0
    4.2990    0.8127    0.9881 H   0  0  0  0  0
    7.5517   -2.2529    2.6561 H   0  0  0  0  0
    5.6333    4.5026    0.5396 H   0  0  0  0  0
    1.2478    4.5448    0.4350 H   0  0  0  0  0
    0.3148    6.7337   -0.1399 H   0  0  0  0  0
    4.1890    7.9995   -1.5660 H   0  0  0  0  0
    5.0942    5.7968   -1.0739 H   0  0  0  0  0
    0.3858    9.0303    0.5989 H   0  0  0  0  0
   -0.5127   11.2587    0.1070 H   0  0  0  0  0
    0.2137   12.4875   -1.9220 H   0  0  0  0  0
    1.8368   11.4414   -3.4789 H   0  0  0  0  0
    2.7136    9.1928   -3.0368 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  2  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 35  1  0  0  0
 21 22  2  0  0  0
 21 36  1  0  0  0
 22 23  1  0  0  0
 22 37  1  0  0  0
 23 24  2  0  0  0
 23 38  1  0  0  0
 24 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3260433

>  <PubChem CID>
90656140

>  <Formula>
C19H15NO4

>  <Molecular Weight>
321.332000

>  <IUPAC Name>
5-methyl-4-[(4-phenylbenzoyl)amino]furan-2-carboxylic acid

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=C(O1)C(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
CC1=C(C=C(O1)C(=O)O)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H15NO4/c1-12-16(11-17(24-12)19(22)23)20-18(21)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)(H,22,23)

>  <InChI Key>
AUCSIUCRKVYKJM-UHFFFAOYSA-N

