
 CHEMBL2391260

 55 58  0  0  0  0  0  0  0  0999 V2000
    3.7217    7.8681   -1.9217 C   0  0  0  0  0
    4.8521    7.1450   -1.4495 O   0  0  0  0  0
    4.6236    5.8865   -0.9643 C   0  0  0  0  0
    3.3995    5.2199   -0.9525 C   0  0  0  0  0
    3.3091    3.9334   -0.4142 C   0  0  0  0  0
    4.4397    3.3069    0.1129 C   0  0  0  0  0
    5.6758    3.9640    0.1145 C   0  0  0  0  0
    5.7543    5.2519   -0.4388 C   0  0  0  0  0
    6.9107    3.2957    0.6808 C   0  0  0  0  0
    7.6749    2.5222   -0.3564 C   0  0  0  0  0
    8.6733    3.0503   -1.0742 C   0  0  0  0  0
    9.3008    2.2146   -2.1205 C   0  0  0  0  0
    8.9342    0.9953   -2.3775 N   0  0  0  0  0
    7.9187    0.4516   -1.6242 N   0  0  0  0  0
    7.2944    1.1042   -0.5711 C   0  0  0  0  0
    6.4071    0.5889    0.1048 O   0  0  0  0  0
    7.5330   -0.9205   -1.9545 C   0  0  0  0  0
    6.3478   -1.0394   -2.9266 C   0  0  0  0  0
    6.1780   -2.0847   -3.5518 O   0  0  0  0  0
    5.4689    0.0294   -2.9117 N   0  0  0  0  0
    4.2802    0.1981   -3.6458 C   0  0  0  0  0
    3.7650   -0.7493   -4.5336 C   0  0  0  0  0
    2.5841   -0.4890   -5.2371 C   0  0  0  0  0
    1.9210    0.7167   -5.0502 C   0  0  0  0  0
    2.4121    1.6678   -4.1670 C   0  0  0  0  0
    3.5908    1.4073   -3.4652 C   0  0  0  0  0
    0.7960    0.9673   -5.7321 F   0  0  0  0  0
   10.4218    2.8246   -2.8973 C   0  0  0  0  0
   11.4494    1.9935   -3.3645 C   0  0  0  0  0
   12.5296    2.5336   -4.0671 C   0  0  0  0  0
   12.5873    3.9043   -4.3137 C   0  0  0  0  0
   11.5584    4.7347   -3.8737 C   0  0  0  0  0
   10.4741    4.1978   -3.1749 C   0  0  0  0  0
    4.0581    8.8739   -2.1921 H   0  0  0  0  0
    2.9592    7.9734   -1.1427 H   0  0  0  0  0
    3.3076    7.4004   -2.8207 H   0  0  0  0  0
    2.4968    5.6722   -1.3497 H   0  0  0  0  0
    2.3517    3.4170   -0.4033 H   0  0  0  0  0
    4.3474    2.3036    0.5271 H   0  0  0  0  0
    6.7032    5.7835   -0.4536 H   0  0  0  0  0
    6.6326    2.6552    1.5271 H   0  0  0  0  0
    7.5557    4.0668    1.1238 H   0  0  0  0  0
    8.9989    4.0690   -0.9176 H   0  0  0  0  0
    7.2630   -1.4557   -1.0373 H   0  0  0  0  0
    8.3969   -1.4223   -2.4054 H   0  0  0  0  0
    5.7113    0.7922   -2.2944 H   0  0  0  0  0
    4.2583   -1.7012   -4.7025 H   0  0  0  0  0
    2.1849   -1.2223   -5.9304 H   0  0  0  0  0
    1.8818    2.6047   -4.0338 H   0  0  0  0  0
    3.9681    2.1649   -2.7833 H   0  0  0  0  0
   11.4200    0.9217   -3.1781 H   0  0  0  0  0
   13.3263    1.8841   -4.4221 H   0  0  0  0  0
   13.4298    4.3242   -4.8582 H   0  0  0  0  0
   11.5968    5.8016   -4.0817 H   0  0  0  0  0
    9.6733    4.8686   -2.8783 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5  6  2  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 49  1  0  0  0
 26 50  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 51  1  0  0  0
 30 31  2  0  0  0
 30 52  1  0  0  0
 31 32  1  0  0  0
 31 53  1  0  0  0
 32 33  2  0  0  0
 32 54  1  0  0  0
 33 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2391260

>  <PubChem CID>
71698620

>  <Formula>
C26H22FN3O3

>  <Molecular Weight>
443.478000

>  <IUPAC Name>
N-(4-fluorophenyl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-phenylpyridazin-1-yl]acetamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC(=C1)CC2=CC(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4

>  <Isomeric SMILES>
COC1=CC=CC(=C1)CC2=CC(=NN(C2=O)CC(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H22FN3O3/c1-33-23-9-5-6-18(15-23)14-20-16-24(19-7-3-2-4-8-19)29-30(26(20)32)17-25(31)28-22-12-10-21(27)11-13-22/h2-13,15-16H,14,17H2,1H3,(H,28,31)

>  <InChI Key>
ZKWLOPBDSPJHCJ-UHFFFAOYSA-N

