
 CHEMBL299726

 44 47  0  0  0  0  0  0  0  0999 V2000
    4.8898    2.9479    1.6401 C   0  0  0  0  0
    4.6745    3.2914    0.1956 C   0  0  0  0  0
    3.4191    3.6955   -0.2681 C   0  0  0  0  0
    3.2967    4.0502   -1.6127 C   0  0  0  0  0
    4.3962    3.9370   -2.4575 C   0  0  0  0  0
    5.5937    3.5020   -1.9184 C   0  0  0  0  0
    5.7618    3.1889   -0.6154 N   0  0  0  0  0
    2.3959    3.8294    0.6406 O   0  0  0  0  0
    1.1226    3.4051    0.2803 C   0  0  0  0  0
    0.9534    2.5234   -0.7250 N   0  0  0  0  0
   -0.3212    2.1523   -1.0145 C   0  0  0  0  0
   -1.4465    2.6107   -0.3328 C   0  0  0  0  0
   -1.2265    3.5062    0.7169 C   0  0  0  0  0
    0.0730    3.9053    1.0344 C   0  0  0  0  0
   -2.7832    2.2547   -0.6253 N   0  0  0  0  0
   -3.2056    1.3183   -1.5524 C   0  0  0  0  0
   -2.4233    0.6333   -2.2049 O   0  0  0  0  0
   -4.5850    1.2269   -1.6860 N   0  0  0  0  0
   -5.6015    2.0591   -1.0184 C   0  0  0  0  0
   -6.9679    1.7007   -1.6138 C   0  0  0  0  0
   -6.6374    0.5097   -2.4523 C   0  0  0  0  0
   -5.2586    0.2831   -2.4962 C   0  0  0  0  0
   -4.7402   -0.7560   -3.2514 C   0  0  0  0  0
   -5.6290   -1.5667   -3.9612 C   0  0  0  0  0
   -7.0112   -1.3390   -3.9183 C   0  0  0  0  0
   -7.5260   -0.2875   -3.1591 C   0  0  0  0  0
   -5.0199   -2.8725   -4.9059 Cl  0  0  0  0  0
    4.6374    3.8017    2.2768 H   0  0  0  0  0
    5.9380    2.6904    1.8259 H   0  0  0  0  0
    4.2744    2.0886    1.9228 H   0  0  0  0  0
    2.3499    4.3999   -2.0126 H   0  0  0  0  0
    4.3173    4.1811   -3.5104 H   0  0  0  0  0
    6.4794    3.3946   -2.5378 H   0  0  0  0  0
   -0.3813    1.4611   -1.8483 H   0  0  0  0  0
   -2.0523    3.9028    1.3000 H   0  0  0  0  0
    0.2612    4.5961    1.8486 H   0  0  0  0  0
   -3.4880    2.6633   -0.0358 H   0  0  0  0  0
   -5.3662    3.1204   -1.1566 H   0  0  0  0  0
   -5.5711    1.8370    0.0551 H   0  0  0  0  0
   -7.3466    2.5152   -2.2399 H   0  0  0  0  0
   -7.6962    1.4673   -0.8317 H   0  0  0  0  0
   -3.6765   -0.9564   -3.2986 H   0  0  0  0  0
   -7.6862   -1.9801   -4.4801 H   0  0  0  0  0
   -8.5954   -0.1017   -3.1305 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 22  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 42  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 43  1  0  0  0
 26 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL299726

>  <PubChem CID>
44298142

>  <Formula>
C20H17ClN4O2

>  <Molecular Weight>
380.832000

>  <IUPAC Name>
6-chloro-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=CC=N1)OC2=NC=C(C=C2)NC(=O)N3CCC4=C3C=C(C=C4)Cl

>  <Isomeric SMILES>
CC1=C(C=CC=N1)OC2=NC=C(C=C2)NC(=O)N3CCC4=C3C=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C20H17ClN4O2/c1-13-18(3-2-9-22-13)27-19-7-6-16(12-23-19)24-20(26)25-10-8-14-4-5-15(21)11-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)

>  <InChI Key>
AGVPOFROVYICOD-UHFFFAOYSA-N

