
 CHEMBL599691

 52 56  0  0  0  0  0  0  0  0999 V2000
    8.1498    2.1619    5.1053 C   0  0  0  0  0
    7.5090    1.6555    3.9405 O   0  0  0  0  0
    6.5329    2.4484    3.3936 C   0  0  0  0  0
    5.6285    1.7666    2.5716 C   0  0  0  0  0
    4.6137    2.5207    1.9887 C   0  0  0  0  0
    4.4646    3.8911    2.1578 C   0  0  0  0  0
    5.3942    4.5658    2.9698 C   0  0  0  0  0
    6.4232    3.8305    3.5815 C   0  0  0  0  0
    3.3231    4.2636    1.3830 C   0  0  0  0  0
    2.8569    3.0914    0.8213 C   0  0  0  0  0
    3.6333    2.0367    1.1786 O   0  0  0  0  0
    2.7616    5.6368    1.2011 C   0  0  0  0  0
    3.5299    6.4198    0.1212 C   0  0  0  0  0
    3.0384    7.7933   -0.1017 N   0  0  0  0  0
    3.7427    8.3963   -1.2473 C   0  0  0  0  0
    3.1617    9.7766   -1.5927 C   0  0  0  0  0
    3.0420   10.6680   -0.3815 C   0  0  0  0  0
    3.0731   10.1098    0.8437 C   0  0  0  0  0
    3.2029    8.6348    1.0942 C   0  0  0  0  0
    2.9841   12.0839   -0.6252 C   0  0  0  0  0
    3.5247   13.0232    0.2322 C   0  0  0  0  0
    3.3153   14.2661   -0.2968 N   0  0  0  0  0
    2.6486   14.1676   -1.4944 C   0  0  0  0  0
    2.4157   12.8067   -1.7298 C   0  0  0  0  0
    1.7191   12.4579   -2.9072 C   0  0  0  0  0
    1.3137   13.4616   -3.7875 C   0  0  0  0  0
    1.5668   14.8013   -3.5331 C   0  0  0  0  0
    2.2397   15.1821   -2.3720 C   0  0  0  0  0
    0.6622   13.1218   -4.9086 F   0  0  0  0  0
    8.7791    1.3642    5.5128 H   0  0  0  0  0
    7.4181    2.4355    5.8735 H   0  0  0  0  0
    8.8024    3.0065    4.8627 H   0  0  0  0  0
    5.7026    0.6998    2.4021 H   0  0  0  0  0
    5.3251    5.6382    3.1230 H   0  0  0  0  0
    7.1369    4.3747    4.1916 H   0  0  0  0  0
    2.0286    2.8551    0.1667 H   0  0  0  0  0
    2.8066    6.1552    2.1657 H   0  0  0  0  0
    1.7012    5.5711    0.9271 H   0  0  0  0  0
    3.4361    5.8588   -0.8186 H   0  0  0  0  0
    4.6015    6.4366    0.3631 H   0  0  0  0  0
    3.6346    7.7578   -2.1331 H   0  0  0  0  0
    4.8185    8.4833   -1.0412 H   0  0  0  0  0
    2.1668    9.6331   -2.0307 H   0  0  0  0  0
    3.8060   10.2316   -2.3546 H   0  0  0  0  0
    3.0135   10.7310    1.7324 H   0  0  0  0  0
    4.1829    8.4661    1.5594 H   0  0  0  0  0
    2.4365    8.3607    1.8280 H   0  0  0  0  0
    4.0517   12.9155    1.1709 H   0  0  0  0  0
    3.6102   15.1355    0.1260 H   0  0  0  0  0
    1.4851   11.4288   -3.1499 H   0  0  0  0  0
    1.2323   15.5503   -4.2447 H   0  0  0  0  0
    2.4364   16.2289   -2.1617 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
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  5 11  1  0  0  0
  6  7  1  0  0  0
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  8 35  1  0  0  0
  9 10  2  0  0  0
  9 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL599691

>  <PubChem CID>
11474777

>  <Formula>
C24H23FN2O2

>  <Molecular Weight>
390.458000

>  <IUPAC Name>
5-fluoro-3-[1-[2-(6-methoxy-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC2=C(C=C1)C(=CO2)CCN3CCC(=CC3)C4=CNC5=C4C=C(C=C5)F

>  <Isomeric SMILES>
COC1=CC2=C(C=C1)C(=CO2)CCN3CCC(=CC3)C4=CNC5=C4C=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C24H23FN2O2/c1-28-19-3-4-20-17(15-29-24(20)13-19)8-11-27-9-6-16(7-10-27)22-14-26-23-5-2-18(25)12-21(22)23/h2-6,12-15,26H,7-11H2,1H3

>  <InChI Key>
AGCRUJCLQRUZLK-UHFFFAOYSA-N

