
 CHEMBL2391266

 59 62  0  0  0  0  0  0  0  0999 V2000
    0.9218    0.0013   -0.7451 C   0  0  0  0  0
    2.2199    0.1197   -0.1730 O   0  0  0  0  0
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    5.1985    7.2609   -0.7720 N   0  0  0  0  0
    6.4897    7.3123   -1.2825 C   0  0  0  0  0
    7.1101    8.3558   -1.4620 O   0  0  0  0  0
    7.0908    6.0047   -1.6581 C   0  0  0  0  0
    6.4431    4.8666   -1.3794 C   0  0  0  0  0
    8.3994    6.0371   -2.3984 C   0  0  0  0  0
    8.2886    6.1952   -3.9059 C   0  0  0  0  0
    9.4740    6.2369   -4.6596 C   0  0  0  0  0
    9.4481    6.3991   -6.0487 C   0  0  0  0  0
    8.2235    6.4870   -6.7076 C   0  0  0  0  0
    7.0364    6.4408   -5.9780 C   0  0  0  0  0
    7.0678    6.3018   -4.5899 C   0  0  0  0  0
   10.6758    6.4349   -6.6522 O   0  0  0  0  0
   10.7160    7.0512   -7.9347 C   0  0  0  0  0
    4.4905    8.5153   -0.5059 C   0  0  0  0  0
    3.6513    8.9591   -1.7110 C   0  0  0  0  0
    3.2881   10.1269   -1.8314 O   0  0  0  0  0
    3.2386    7.8988   -2.5029 N   0  0  0  0  0
    2.4694    7.9311   -3.6769 C   0  0  0  0  0
    2.0536    9.1115   -4.3017 C   0  0  0  0  0
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    0.9588    7.8311   -6.0272 C   0  0  0  0  0
    1.3644    6.6485   -5.4221 C   0  0  0  0  0
    2.1219    6.6984   -4.2495 C   0  0  0  0  0
    0.2364    7.7849   -7.1513 F   0  0  0  0  0
    0.6291   -1.0518   -0.6932 H   0  0  0  0  0
    0.9254    0.2952   -1.8007 H   0  0  0  0  0
    0.1862    0.5797   -0.1774 H   0  0  0  0  0
    4.7212    0.3793    0.0746 H   0  0  0  0  0
    6.0448    2.4316   -0.1512 H   0  0  0  0  0
    2.4093    4.6479   -0.9216 H   0  0  0  0  0
    1.1088    2.6037   -0.6693 H   0  0  0  0  0
    6.8427    3.9071   -1.6804 H   0  0  0  0  0
    8.9417    5.1013   -2.2031 H   0  0  0  0  0
    9.0349    6.8390   -2.0015 H   0  0  0  0  0
   10.4387    6.1621   -4.1610 H   0  0  0  0  0
    8.1591    6.5861   -7.7854 H   0  0  0  0  0
    6.0809    6.5201   -6.4908 H   0  0  0  0  0
    6.1165    6.2877   -4.0655 H   0  0  0  0  0
   11.7666    7.1633   -8.2187 H   0  0  0  0  0
   10.2682    8.0510   -7.9102 H   0  0  0  0  0
   10.2336    6.4218   -8.6891 H   0  0  0  0  0
    5.2090    9.3081   -0.2744 H   0  0  0  0  0
    3.8258    8.3720    0.3523 H   0  0  0  0  0
    3.5273    6.9884   -2.1483 H   0  0  0  0  0
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    1.0882    5.6979   -5.8675 H   0  0  0  0  0
    2.4312    5.7645   -3.7877 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  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 39  1  0  0  0
  5  6  2  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
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  7 41  1  0  0  0
  8 42  1  0  0  0
  9 15  1  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2391266

>  <PubChem CID>
71698710

>  <Formula>
C27H24FN3O4

>  <Molecular Weight>
473.504000

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

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)CC3=CC(=CC=C3)OC)CC(=O)NC4=CC=C(C=C4)F

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)CC3=CC(=CC=C3)OC)CC(=O)NC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C27H24FN3O4/c1-34-23-12-6-19(7-13-23)25-16-20(14-18-4-3-5-24(15-18)35-2)27(33)31(30-25)17-26(32)29-22-10-8-21(28)9-11-22/h3-13,15-16H,14,17H2,1-2H3,(H,29,32)

>  <InChI Key>
QNEIUZOSVVSZRQ-UHFFFAOYSA-N

