
 CHEMBL169297

 46 48  0  0  0  0  0  0  0  0999 V2000
    7.1436   -0.5922    2.1725 C   0  0  0  0  0
    6.0621    0.3043    1.8049 N   0  0  0  0  0
    4.8676   -0.1369    1.6637 C   0  0  0  0  0
    4.4746   -1.4380    1.8168 N   0  0  0  0  0
    3.7646    0.6162    1.3553 N   0  0  0  0  0
    3.6781    2.0120    1.1672 C   0  0  0  0  0
    2.4105    2.6209    1.2081 C   0  0  0  0  0
    2.2104    4.0038    0.9830 C   0  0  0  0  0
    3.3483    4.7843    0.6805 C   0  0  0  0  0
    4.6155    4.1939    0.6503 C   0  0  0  0  0
    4.7703    2.8229    0.8689 C   0  0  0  0  0
    3.1448    6.1175    0.4292 O   0  0  0  0  0
    4.1447    6.8027   -0.3228 C   0  0  0  0  0
    3.5137    8.0230   -0.9469 C   0  0  0  0  0
    2.4048    7.8787   -1.7941 C   0  0  0  0  0
    1.8327    8.9923   -2.4081 C   0  0  0  0  0
    2.3640   10.2600   -2.1816 C   0  0  0  0  0
    3.4635   10.4164   -1.3395 C   0  0  0  0  0
    4.0388    9.3020   -0.7243 C   0  0  0  0  0
    0.8352    4.5674    1.0641 C   0  0  0  0  0
   -0.2627    3.8967    0.4870 C   0  0  0  0  0
   -1.5602    4.4121    0.5759 C   0  0  0  0  0
   -1.7765    5.6161    1.2311 C   0  0  0  0  0
   -0.7219    6.3071    1.8070 C   0  0  0  0  0
    0.5710    5.7790    1.7334 C   0  0  0  0  0
   -3.0190    6.1133    1.3071 F   0  0  0  0  0
    8.0699   -0.0170    2.2540 H   0  0  0  0  0
    7.3033   -1.3633    1.4138 H   0  0  0  0  0
    6.9613   -1.0586    3.1468 H   0  0  0  0  0
    5.2441   -2.0872    1.9172 H   0  0  0  0  0
    3.8527   -1.7487    1.0807 H   0  0  0  0  0
    2.9048    0.2084    1.6909 H   0  0  0  0  0
    1.5457    2.0021    1.4434 H   0  0  0  0  0
    5.5133    4.7737    0.4590 H   0  0  0  0  0
    5.7722    2.4092    0.8001 H   0  0  0  0  0
    4.5437    6.1830   -1.1363 H   0  0  0  0  0
    4.9608    7.0922    0.3489 H   0  0  0  0  0
    1.9796    6.8930   -1.9722 H   0  0  0  0  0
    0.9727    8.8694   -3.0610 H   0  0  0  0  0
    1.9166   11.1307   -2.6595 H   0  0  0  0  0
    3.8739   11.4064   -1.1615 H   0  0  0  0  0
    4.8968    9.4416   -0.0717 H   0  0  0  0  0
   -0.1153    2.9632   -0.0508 H   0  0  0  0  0
   -2.3990    3.8837    0.1331 H   0  0  0  0  0
   -0.9043    7.2516    2.3105 H   0  0  0  0  0
    1.3810    6.3323    2.2043 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  2  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  4 30  1  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 11  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 20  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
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 11 35  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
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 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
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 20 21  2  0  0  0
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 25 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL169297

>  <PubChem CID>
44383044

>  <Formula>
C21H20FN3O

>  <Molecular Weight>
349.409000

>  <IUPAC Name>
1-[3-(4-fluorophenyl)-4-phenylmethoxyphenyl]-2-methylguanidine

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN=C(N)NC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
CN=C(N)NC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C21H20FN3O/c1-24-21(23)25-18-11-12-20(26-14-15-5-3-2-4-6-15)19(13-18)16-7-9-17(22)10-8-16/h2-13H,14H2,1H3,(H3,23,24,25)

>  <InChI Key>
CSRFVNFAJKYGMG-UHFFFAOYSA-N

