
 CHEMBL374675

 61 65  0  0  0  0  0  0  0  0999 V2000
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    3.0905    2.0654    1.6101 H   0  0  0  0  0
    3.8314    3.3420    3.6083 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL374675

>  <PubChem CID>
11385692

>  <Formula>
C27H27FN2O4

>  <Molecular Weight>
462.521000

>  <IUPAC Name>
2-[2-[4-[6-fluoro-1-(furan-3-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCC1C2=CN(C3=C2C=CC(=C3)F)CC4=COC=C4)CCOC5=CC=CC=C5C(=O)O

>  <Isomeric SMILES>
C1CN(CCC1C2=CN(C3=C2C=CC(=C3)F)CC4=COC=C4)CCOC5=CC=CC=C5C(=O)O

>  <InChI Std. ID>
InChI=1S/C27H27FN2O4/c28-21-5-6-22-24(17-30(25(22)15-21)16-19-9-13-33-18-19)20-7-10-29(11-8-20)12-14-34-26-4-2-1-3-23(26)27(31)32/h1-6,9,13,15,17-18,20H,7-8,10-12,14,16H2,(H,31,32)

>  <InChI Key>
XUJYHTDMGGZORQ-UHFFFAOYSA-N

