
 CHEMBL237967

 68 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL237967

>  <PubChem CID>
11548199

>  <Formula>
C29H30F3N3O3

>  <Molecular Weight>
525.572000

>  <IUPAC Name>
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-2-[1-[(E)-3-(3,4,5-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]acetic acid

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCC1C2=CNC3=CC=CC=C32)C(C4CCN(CC4)C(=O)C=CC5=CC(=C(C(=C5)F)F)F)C(=O)O

>  <Isomeric SMILES>
C1CN(CCC1C2=CNC3=CC=CC=C32)[C@@H](C4CCN(CC4)C(=O)/C=C/C5=CC(=C(C(=C5)F)F)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C29H30F3N3O3/c30-23-15-18(16-24(31)27(23)32)5-6-26(36)34-11-9-20(10-12-34)28(29(37)38)35-13-7-19(8-14-35)22-17-33-25-4-2-1-3-21(22)25/h1-6,15-17,19-20,28,33H,7-14H2,(H,37,38)/b6-5+/t28-/m0/s1

>  <InChI Key>
CJWPNMMSQZADAG-GFPUREGVSA-N

