
 CHEMBL1672256

 41 44  0  0  0  0  0  0  0  0999 V2000
   -1.4331    0.5563   -0.5452 C   0  0  0  0  0
   -1.7000   -0.6473    0.0994 C   0  0  0  0  0
   -0.6677   -1.5630    0.2492 C   0  0  0  0  0
    0.5955   -1.3567   -0.1863 N   0  0  0  0  0
    0.8249   -0.1689   -0.8177 C   0  0  0  0  0
   -0.1491    0.8032   -1.0188 C   0  0  0  0  0
    2.2323    0.0867   -1.2702 C   0  0  0  0  0
    2.4867    1.0999   -1.9128 O   0  0  0  0  0
    3.1216   -0.8930   -0.8697 N   0  0  0  0  0
    4.5229   -0.9044   -1.0254 C   0  0  0  0  0
    5.2167   -2.0059   -0.5120 C   0  0  0  0  0
    6.6256   -2.0718   -0.6003 C   0  0  0  0  0
    7.3310   -1.0311   -1.2220 C   0  0  0  0  0
    6.6412    0.0875   -1.7218 C   0  0  0  0  0
    5.2416    0.1248   -1.6235 C   0  0  0  0  0
    8.6915   -1.3596   -1.1793 N   0  0  0  0  0
    8.8148   -2.5513   -0.4782 C   0  0  0  0  0
    7.5711   -3.0214   -0.1459 C   0  0  0  0  0
    9.8016   -0.6542   -1.7017 C   0  0  0  0  0
   10.9214   -0.9955   -1.3172 O   0  0  0  0  0
    9.7567    0.4625   -2.6604 C   0  0  0  0  0
    9.2606    0.3089   -3.9619 C   0  0  0  0  0
    9.2930    1.3893   -4.8464 C   0  0  0  0  0
    9.8475    2.5972   -4.4359 C   0  0  0  0  0
   10.3752    2.7510   -3.1585 C   0  0  0  0  0
   10.3357    1.6797   -2.2662 C   0  0  0  0  0
    9.8912    3.6251   -5.2926 F   0  0  0  0  0
    8.6446   -1.1922   -4.5492 Cl  0  0  0  0  0
   -2.2161    1.2989   -0.6745 H   0  0  0  0  0
   -2.6926   -0.8660    0.4792 H   0  0  0  0  0
   -0.8401   -2.5154    0.7439 H   0  0  0  0  0
    0.0906    1.7360   -1.5197 H   0  0  0  0  0
    2.6919   -1.6706   -0.3745 H   0  0  0  0  0
    4.6846   -2.8186   -0.0242 H   0  0  0  0  0
    7.1459    0.9341   -2.1720 H   0  0  0  0  0
    4.7408    1.0014   -2.0243 H   0  0  0  0  0
    9.7974   -2.9731   -0.3063 H   0  0  0  0  0
    7.3659   -3.9422    0.3843 H   0  0  0  0  0
    8.9098    1.3000   -5.8586 H   0  0  0  0  0
   10.8253    3.6977   -2.8728 H   0  0  0  0  0
   10.7711    1.7871   -1.2740 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 32  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 18  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
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 17 18  2  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 28  1  0  0  0
 23 24  2  0  0  0
 23 39  1  0  0  0
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 25 26  2  0  0  0
 25 40  1  0  0  0
 26 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1672256

>  <PubChem CID>
53324349

>  <Formula>
C21H13ClFN3O2

>  <Molecular Weight>
393.802000

>  <IUPAC Name>
N-[1-(2-chloro-4-fluorobenzoyl)indol-5-yl]pyridine-2-carboxamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=NC(=C1)C(=O)NC2=CC3=C(C=C2)N(C=C3)C(=O)C4=C(C=C(C=C4)F)Cl

>  <Isomeric SMILES>
C1=CC=NC(=C1)C(=O)NC2=CC3=C(C=C2)N(C=C3)C(=O)C4=C(C=C(C=C4)F)Cl

>  <InChI Std. ID>
InChI=1S/C21H13ClFN3O2/c22-17-12-14(23)4-6-16(17)21(28)26-10-8-13-11-15(5-7-19(13)26)25-20(27)18-3-1-2-9-24-18/h1-12H,(H,25,27)

>  <InChI Key>
AOFDTVQSPBZZNQ-UHFFFAOYSA-N

