
 CHEMBL3099960

 63 66  0  0  0  0  0  0  0  0999 V2000
    0.8718   -1.4704   -1.8376 C   0  0  0  0  0
    1.2093   -0.0832   -1.6442 N   0  0  0  0  0
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   -7.4799    0.4288   -1.7822 F   0  0  0  0  0
    0.9823    6.5076    1.8154 O   0  0  0  0  0
   -0.2130   -1.5579   -1.9367 H   0  0  0  0  0
    1.2089   -2.0337   -0.9621 H   0  0  0  0  0
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    4.8994    1.3196   -2.9156 H   0  0  0  0  0
    7.4676    5.3238   -2.9431 H   0  0  0  0  0
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    8.7778    5.7673   -1.8397 H   0  0  0  0  0
    3.0685    5.7827    0.3738 H   0  0  0  0  0
    3.1417    4.8864    1.9094 H   0  0  0  0  0
    0.7019    5.3609    0.1372 H   0  0  0  0  0
    0.8961    4.0590    2.8963 H   0  0  0  0  0
    0.5291    3.1872    1.4064 H   0  0  0  0  0
   -1.3921    5.3902    0.2812 H   0  0  0  0  0
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   -6.7831    2.1316    0.0612 H   0  0  0  0  0
    0.0741    6.4814    2.1799 H   0  0  0  0  0
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  1 35  1  0  0  0
  1 36  1  0  0  0
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  2 37  1  0  0  0
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  8 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3099960

>  <PubChem CID>
72945111

>  <Formula>
C24H30FN3O5

>  <Molecular Weight>
459.518000

>  <IUPAC Name>
1-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-methoxyphenyl]-3-methylurea

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CNC(=O)NC1=C(C=C(C=C1)OC)OCC(CN2CCC3(CC2)CC4=C(O3)C=CC(=C4)F)O

>  <Isomeric SMILES>
CNC(=O)NC1=C(C=C(C=C1)OC)OC[C@H](CN2CCC3(CC2)CC4=C(O3)C=CC(=C4)F)O

>  <InChI Std. ID>
InChI=1S/C24H30FN3O5/c1-26-23(30)27-20-5-4-19(31-2)12-22(20)32-15-18(29)14-28-9-7-24(8-10-28)13-16-11-17(25)3-6-21(16)33-24/h3-6,11-12,18,29H,7-10,13-15H2,1-2H3,(H2,26,27,30)/t18-/m0/s1

>  <InChI Key>
BQBIDAKKFBOFBK-SFHVURJKSA-N

