
 CHEMBL374218

 61 65  0  0  0  0  0  0  0  0999 V2000
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    2.1312   -0.3403    6.2571 H   0  0  0  0  0
    4.3119    0.8096    6.0129 H   0  0  0  0  0
    5.1869    1.3833    3.7753 H   0  0  0  0  0
    3.9038    0.8119    1.7379 H   0  0  0  0  0
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   -9.1192   -0.6707    0.2310 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
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  7 15  1  0  0  0
  7  8  2  0  0  0
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  9 10  1  0  0  0
  9 16  1  0  0  0
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 33 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL374218

>  <PubChem CID>
10138404

>  <Formula>
C27H28N2O4

>  <Molecular Weight>
444.531000

>  <IUPAC Name>
2-[2-[4-[1-(furan-2-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC=CO4)CCOC5=CC=CC=C5C(=O)O

>  <Isomeric SMILES>
C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC=CO4)CCOC5=CC=CC=C5C(=O)O

>  <InChI Std. ID>
InChI=1S/C27H28N2O4/c30-27(31)23-8-2-4-10-26(23)33-17-15-28-13-11-20(12-14-28)24-19-29(18-21-6-5-16-32-21)25-9-3-1-7-22(24)25/h1-10,16,19-20H,11-15,17-18H2,(H,30,31)

>  <InChI Key>
BLFHOBLUEABFEX-UHFFFAOYSA-N

