
 CHEMBL3785813

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.6382   -0.2379    1.2515 C   0  0  0  0  0
    1.8142    0.0001    0.3770 C   0  0  0  0  0
    2.2165    1.2117   -0.1685 C   0  0  0  0  0
    3.3650    1.0291   -0.8996 O   0  0  0  0  0
    3.6782   -0.2889   -0.8356 C   0  0  0  0  0
    2.7642   -0.9633   -0.0636 C   0  0  0  0  0
    1.6519    2.5500   -0.0748 C   0  0  0  0  0
    0.5667    2.7708    0.4530 O   0  0  0  0  0
    2.4884    3.5139   -0.6101 N   0  0  0  0  0
    2.3002    4.9066   -0.6550 C   0  0  0  0  0
    1.1280    5.5530   -0.2595 C   0  0  0  0  0
    1.0315    6.9510   -0.3141 C   0  0  0  0  0
    2.1157    7.7259   -0.7576 C   0  0  0  0  0
    3.2695    7.0675   -1.2010 C   0  0  0  0  0
    3.3639    5.6736   -1.1392 C   0  0  0  0  0
    2.0872    9.1339   -0.8082 N   0  0  0  0  0
    2.4475    9.9013   -1.9273 C   0  0  0  0  0
    2.7312    9.5120   -3.0512 O   0  0  0  0  0
    2.4090   11.3681   -1.4975 C   0  0  0  0  0
    2.1487   11.2758   -0.0270 C   0  0  0  0  0
    2.1235   12.2951    0.9110 C   0  0  0  0  0
    1.9305   11.9496    2.2486 C   0  0  0  0  0
    1.7743   10.6061    2.6259 C   0  0  0  0  0
    1.8008    9.5868    1.6682 C   0  0  0  0  0
    1.9696    9.9390    0.3404 C   0  0  0  0  0
   -0.5087    7.6505    0.0666 Cl  0  0  0  0  0
   -0.2906   -0.1258    0.6837 H   0  0  0  0  0
    0.6263    0.4706    2.0858 H   0  0  0  0  0
    0.6603   -1.2484    1.6738 H   0  0  0  0  0
    4.5646   -0.5883   -1.3782 H   0  0  0  0  0
    2.7798   -2.0214    0.1593 H   0  0  0  0  0
    3.3656    3.1506   -0.9694 H   0  0  0  0  0
    0.2606    4.9898    0.0725 H   0  0  0  0  0
    4.1198    7.6353   -1.5728 H   0  0  0  0  0
    4.2880    5.2032   -1.4678 H   0  0  0  0  0
    1.5947   11.8823   -2.0148 H   0  0  0  0  0
    3.3783   11.8316   -1.7003 H   0  0  0  0  0
    2.2662   13.3313    0.6217 H   0  0  0  0  0
    1.9130   12.7259    3.0107 H   0  0  0  0  0
    1.6386   10.3547    3.6753 H   0  0  0  0  0
    1.6999    8.5544    1.9848 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 26  1  0  0  0
 13 14  1  0  0  0
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 14 15  2  0  0  0
 14 34  1  0  0  0
 15 35  1  0  0  0
 16 25  1  0  0  0
 16 17  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 22 23  2  0  0  0
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 24 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3785813

>  <PubChem CID>
127032500

>  <Formula>
C20H15ClN2O3

>  <Molecular Weight>
366.801000

>  <IUPAC Name>
N-[3-chloro-4-(2-oxo-3H-indol-1-yl)phenyl]-3-methylfuran-2-carboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(OC=C1)C(=O)NC2=CC(=C(C=C2)N3C(=O)CC4=CC=CC=C43)Cl

>  <Isomeric SMILES>
CC1=C(OC=C1)C(=O)NC2=CC(=C(C=C2)N3C(=O)CC4=CC=CC=C43)Cl

>  <InChI Std. ID>
InChI=1S/C20H15ClN2O3/c1-12-8-9-26-19(12)20(25)22-14-6-7-17(15(21)11-14)23-16-5-3-2-4-13(16)10-18(23)24/h2-9,11H,10H2,1H3,(H,22,25)

>  <InChI Key>
BMRLAGDMIUKPFU-UHFFFAOYSA-N

