
 CHEMBL1830044

 48 52  0  0  0  0  0  0  0  0999 V2000
    3.0011    2.9064    2.1712 C   0  0  0  0  0
    3.9746    2.2199    1.3313 N   0  0  0  0  0
    4.5691    1.0745    2.0486 C   0  0  0  0  0
    4.3235    0.1775    0.8026 C   0  0  0  0  0
    3.3079    1.2821    0.4049 C   0  0  0  0  0
    5.5445    0.0108   -0.1020 C   0  0  0  0  0
    6.2174    1.0054   -0.7725 C   0  0  0  0  0
    7.2380    0.4149   -1.4667 N   0  0  0  0  0
    7.2517   -0.9433   -1.2334 C   0  0  0  0  0
    6.1883   -1.2257   -0.3778 C   0  0  0  0  0
    5.9927   -2.5593    0.0149 C   0  0  0  0  0
    6.8614   -3.5576   -0.4582 C   0  0  0  0  0
    7.9261   -3.2771   -1.3274 C   0  0  0  0  0
    8.1204   -1.9356   -1.7193 C   0  0  0  0  0
    8.8199   -4.3219   -1.7988 N   0  0  0  0  0
   10.1306   -4.0224   -2.1782 C   0  0  0  0  0
   10.9870   -4.9477   -2.6249 C   0  0  0  0  0
   10.5882   -6.3286   -2.7297 C   0  0  0  0  0
    9.3439   -6.6716   -2.3690 C   0  0  0  0  0
    8.3599   -5.6573   -1.8935 C   0  0  0  0  0
    7.2263   -6.0743   -1.6598 O   0  0  0  0  0
   11.4872   -7.3904   -3.2061 C   0  0  0  0  0
   11.5662   -7.6840   -4.5735 C   0  0  0  0  0
   12.4170   -8.6951   -5.0278 C   0  0  0  0  0
   13.1909   -9.4103   -4.1153 C   0  0  0  0  0
   13.1238   -9.1228   -2.7532 C   0  0  0  0  0
   12.2732   -8.1119   -2.2978 C   0  0  0  0  0
   14.2364  -10.6567   -4.6746 Cl  0  0  0  0  0
    2.4565    3.6497    1.5787 H   0  0  0  0  0
    3.5161    3.4462    2.9737 H   0  0  0  0  0
    2.2658    2.2365    2.6330 H   0  0  0  0  0
    4.0205    0.7272    2.9341 H   0  0  0  0  0
    5.6145    1.2182    2.3425 H   0  0  0  0  0
    3.8718   -0.7838    1.0725 H   0  0  0  0  0
    3.3202    1.5987   -0.6434 H   0  0  0  0  0
    2.2722    1.0167    0.6560 H   0  0  0  0  0
    6.0563    2.0747   -0.8196 H   0  0  0  0  0
    7.8970    0.9041   -2.0556 H   0  0  0  0  0
    5.1848   -2.8286    0.6892 H   0  0  0  0  0
    6.6867   -4.5639   -0.0866 H   0  0  0  0  0
    8.8952   -1.6505   -2.4208 H   0  0  0  0  0
   10.4747   -3.0006   -2.0655 H   0  0  0  0  0
   12.0037   -4.6786   -2.8955 H   0  0  0  0  0
    8.9717   -7.6887   -2.4189 H   0  0  0  0  0
   10.9629   -7.1318   -5.2914 H   0  0  0  0  0
   12.4689   -8.9198   -6.0897 H   0  0  0  0  0
   13.7270   -9.6808   -2.0420 H   0  0  0  0  0
   12.2242   -7.8934   -1.2356 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  5  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 34  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  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 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
 16 17  2  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 45  1  0  0  0
 24 25  2  0  0  0
 24 46  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 47  1  0  0  0
 27 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1830044

>  <PubChem CID>
44224161

>  <Formula>
C23H20ClN3O

>  <Molecular Weight>
389.883000

>  <IUPAC Name>
4-(4-chlorophenyl)-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CC(C1)C2=CNC3=C2C=CC(=C3)N4C=CC(=CC4=O)C5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
CN1CC(C1)C2=CNC3=C2C=CC(=C3)N4C=CC(=CC4=O)C5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C23H20ClN3O/c1-26-13-17(14-26)21-12-25-22-11-19(6-7-20(21)22)27-9-8-16(10-23(27)28)15-2-4-18(24)5-3-15/h2-12,17,25H,13-14H2,1H3

>  <InChI Key>
BXLCZBUXHOIRET-UHFFFAOYSA-N

