
 CHEMBL173708

 50 52  0  0  0  0  0  0  0  0999 V2000
    3.7789   -2.3732    1.2585 C   0  0  0  0  0
    3.4292   -1.0135    0.8794 N   0  0  0  0  0
    4.2343   -0.0573    1.1923 C   0  0  0  0  0
    5.3783   -0.1630    1.9200 N   0  0  0  0  0
    3.8877    1.2147    0.8425 N   0  0  0  0  0
    4.7029    2.3048    0.4805 C   0  0  0  0  0
    4.1461    3.5912    0.5112 C   0  0  0  0  0
    4.9073    4.7490    0.2425 C   0  0  0  0  0
    6.2659    4.5965   -0.1015 C   0  0  0  0  0
    6.8329    3.3194   -0.1166 C   0  0  0  0  0
    6.0571    2.1902    0.1686 C   0  0  0  0  0
    6.9892    5.7426   -0.3092 O   0  0  0  0  0
    8.0443    5.7185   -1.2705 C   0  0  0  0  0
    7.5527    6.1206   -2.6404 C   0  0  0  0  0
    7.6852    7.4438   -3.0843 C   0  0  0  0  0
    7.2499    7.8114   -4.3583 C   0  0  0  0  0
    6.6665    6.8640   -5.1974 C   0  0  0  0  0
    6.5137    5.5494   -4.7609 C   0  0  0  0  0
    6.9534    5.1787   -3.4892 C   0  0  0  0  0
    4.2648    6.0699    0.3708 C   0  0  0  0  0
    4.1136    6.9242   -0.7297 C   0  0  0  0  0
    3.4985    8.1723   -0.5857 C   0  0  0  0  0
    3.0358    8.5989    0.6600 C   0  0  0  0  0
    3.1630    7.7527    1.7600 C   0  0  0  0  0
    3.7724    6.5013    1.6141 C   0  0  0  0  0
    2.4624    9.8407    0.6766 O   0  0  0  0  0
    2.3901   10.4769    1.9476 C   0  0  0  0  0
    3.0393   -3.0622    0.8389 H   0  0  0  0  0
    3.7645   -2.5002    2.3458 H   0  0  0  0  0
    4.7577   -2.6651    0.8633 H   0  0  0  0  0
    5.4680   -1.0134    2.4579 H   0  0  0  0  0
    5.5627    0.6620    2.4799 H   0  0  0  0  0
    2.9778    1.2452    0.3949 H   0  0  0  0  0
    3.0955    3.7051    0.7769 H   0  0  0  0  0
    7.8882    3.1618   -0.3095 H   0  0  0  0  0
    6.5345    1.2137    0.1291 H   0  0  0  0  0
    8.5893    4.7718   -1.3263 H   0  0  0  0  0
    8.7891    6.4484   -0.9301 H   0  0  0  0  0
    8.1318    8.1974   -2.4389 H   0  0  0  0  0
    7.3650    8.8381   -4.6960 H   0  0  0  0  0
    6.3273    7.1508   -6.1893 H   0  0  0  0  0
    6.0515    4.8113   -5.4116 H   0  0  0  0  0
    6.8235    4.1490   -3.1639 H   0  0  0  0  0
    4.4798    6.6251   -1.7096 H   0  0  0  0  0
    3.3938    8.8215   -1.4513 H   0  0  0  0  0
    2.7936    8.0301    2.7413 H   0  0  0  0  0
    3.8716    5.8607    2.4883 H   0  0  0  0  0
    2.0517   11.5049    1.7879 H   0  0  0  0  0
    3.3744   10.5198    2.4264 H   0  0  0  0  0
    1.6580    9.9845    2.5953 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
  3  5  1  0  0  0
  3  4  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 34  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
 10 35  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 18 19  2  0  0  0
 18 42  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 22 23  2  0  0  0
 22 45  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 46  1  0  0  0
 25 47  1  0  0  0
 26 27  1  0  0  0
 27 48  1  0  0  0
 27 49  1  0  0  0
 27 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL173708

>  <PubChem CID>
44383557

>  <Formula>
C22H23N3O2

>  <Molecular Weight>
361.445000

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

>  <XlogP>
3.8

>  <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)OC

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

>  <InChI Std. ID>
InChI=1S/C22H23N3O2/c1-24-22(23)25-18-10-13-21(27-15-16-6-4-3-5-7-16)20(14-18)17-8-11-19(26-2)12-9-17/h3-14H,15H2,1-2H3,(H3,23,24,25)

>  <InChI Key>
BSFIJQQABLASDL-UHFFFAOYSA-N

