
 CHEMBL374869

 66 70  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
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  1 35  1  0  0  0
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  3  4  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL374869

>  <PubChem CID>
10161929

>  <Formula>
C27H32N2O5

>  <Molecular Weight>
464.562000

>  <IUPAC Name>
2-[2-[4-[1-[2-(1,3-dioxolan-2-yl)ethyl]indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCC1C2=CN(C3=CC=CC=C32)CCC4OCCO4)CCOC5=CC=CC=C5C(=O)O

>  <Isomeric SMILES>
C1CN(CCC1C2=CN(C3=CC=CC=C32)CCC4OCCO4)CCOC5=CC=CC=C5C(=O)O

>  <InChI Std. ID>
InChI=1S/C27H32N2O5/c30-27(31)22-6-2-4-8-25(22)32-16-15-28-12-9-20(10-13-28)23-19-29(14-11-26-33-17-18-34-26)24-7-3-1-5-21(23)24/h1-8,19-20,26H,9-18H2,(H,30,31)

>  <InChI Key>
ZUAMSTWVTDGQIR-UHFFFAOYSA-N

