
 CHEMBL159071

 61 63  0  0  0  0  0  0  0  0999 V2000
    3.1323    5.2943    4.8448 C   0  0  0  0  0
    4.5413    4.7000    4.8977 C   0  0  0  0  0
    4.5112    3.3015    5.5225 C   0  0  0  0  0
    5.1842    4.7451    3.5219 C   0  0  0  0  0
    5.9649    5.8558    3.1674 C   0  0  0  0  0
    6.5559    5.9440    1.9043 C   0  0  0  0  0
    6.3850    4.9200    0.9649 C   0  0  0  0  0
    5.5847    3.8238    1.3030 C   0  0  0  0  0
    4.9902    3.7382    2.5661 C   0  0  0  0  0
    7.0296    5.0140   -0.3969 C   0  0  0  0  0
    6.1080    5.5716   -1.3410 O   0  0  0  0  0
    6.5235    6.8069   -1.7877 C   0  0  0  0  0
    5.7630    7.9268   -1.4130 C   0  0  0  0  0
    6.1924    9.1919   -1.8042 C   0  0  0  0  0
    7.3401    9.3271   -2.5955 C   0  0  0  0  0
    8.0528    8.2069   -3.0337 C   0  0  0  0  0
    7.6488    6.9330   -2.6288 C   0  0  0  0  0
    8.2814    5.7662   -2.9727 O   0  0  0  0  0
    9.4432    5.8561   -3.7857 C   0  0  0  0  0
    7.8630   10.6743   -2.9023 C   0  0  0  0  0
    7.4450   11.6950   -2.2270 N   0  0  0  0  0
    8.0317   12.8839   -2.5007 N   0  0  0  0  0
    7.7641   14.0401   -1.7887 C   0  0  0  0  0
    8.2028   15.1211   -2.1782 O   0  0  0  0  0
    6.9356   13.9854   -0.5492 C   0  0  0  0  0
    6.1328   15.0918   -0.2492 C   0  0  0  0  0
    5.3451   15.0812    0.8980 C   0  0  0  0  0
    5.3511   13.9846    1.7592 C   0  0  0  0  0
    6.1683   12.8914    1.4899 C   0  0  0  0  0
    6.9701   12.9010    0.3436 C   0  0  0  0  0
    4.5532   14.0029    2.8668 O   0  0  0  0  0
    4.5731   16.1453    1.1640 F   0  0  0  0  0
    4.6675    7.6933   -0.6243 O   0  0  0  0  0
    3.6967    8.7289   -0.5456 C   0  0  0  0  0
    3.1541    6.3267    4.4777 H   0  0  0  0  0
    2.6777    5.3050    5.8411 H   0  0  0  0  0
    2.4778    4.7194    4.1801 H   0  0  0  0  0
    5.1447    5.3233    5.5718 H   0  0  0  0  0
    3.8355    2.6253    4.9880 H   0  0  0  0  0
    4.1633    3.3548    6.5601 H   0  0  0  0  0
    5.5095    2.8505    5.5270 H   0  0  0  0  0
    6.1129    6.6692    3.8741 H   0  0  0  0  0
    7.1448    6.8231    1.6534 H   0  0  0  0  0
    5.4118    3.0310    0.5785 H   0  0  0  0  0
    4.3658    2.8756    2.7841 H   0  0  0  0  0
    7.2971    4.0095   -0.7463 H   0  0  0  0  0
    7.9731    5.5716   -0.3135 H   0  0  0  0  0
    5.6658   10.0852   -1.4839 H   0  0  0  0  0
    8.9312    8.3502   -3.6529 H   0  0  0  0  0
    9.8174    4.8407   -3.9475 H   0  0  0  0  0
   10.2327    6.4245   -3.2828 H   0  0  0  0  0
    9.2077    6.2856   -4.7647 H   0  0  0  0  0
    8.6496   10.7567   -3.6739 H   0  0  0  0  0
    8.6115   12.9945   -3.3262 H   0  0  0  0  0
    6.1110   15.9595   -0.9009 H   0  0  0  0  0
    6.2008   12.0323    2.1523 H   0  0  0  0  0
    7.6262   12.0543    0.1602 H   0  0  0  0  0
    4.6611   13.1709    3.3550 H   0  0  0  0  0
    2.8132    8.3220   -0.0438 H   0  0  0  0  0
    3.3886    9.0671   -1.5408 H   0  0  0  0  0
    4.0661    9.5642    0.0578 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  6  7  2  0  0  0
  6 43  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 44  1  0  0  0
  9 45  1  0  0  0
 10 11  1  0  0  0
 10 46  1  0  0  0
 10 47  1  0  0  0
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 34 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL159071

>  <PubChem CID>
44373547

>  <Formula>
C26H27FN2O5

>  <Molecular Weight>
466.509000

>  <IUPAC Name>
N-[(E)-[3,5-dimethoxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]methylideneamino]-3-fluoro-4-hydroxybenzamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)C1=CC=C(C=C1)COC2=C(C=C(C=C2OC)C=NNC(=O)C3=CC(=C(C=C3)O)F)OC

>  <Isomeric SMILES>
CC(C)C1=CC=C(C=C1)COC2=C(C=C(C=C2OC)/C=N/NC(=O)C3=CC(=C(C=C3)O)F)OC

>  <InChI Std. ID>
InChI=1S/C26H27FN2O5/c1-16(2)19-7-5-17(6-8-19)15-34-25-23(32-3)11-18(12-24(25)33-4)14-28-29-26(31)20-9-10-22(30)21(27)13-20/h5-14,16,30H,15H2,1-4H3,(H,29,31)/b28-14+

>  <InChI Key>
CEMWFAKZKSWOAF-CCVNUDIWSA-N

