
 CHEMBL3355951

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3355951

>  <PubChem CID>
11952524

>  <Formula>
C30H32F2N2S

>  <Molecular Weight>
490.657000

>  <IUPAC Name>
2-ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1-phenylindole

>  <XlogP>
7.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1=C(C2=C(N1C3=CC=CC=C3)C=C(C=C2)F)C4CCN(CC4)CCCSC5=CC=C(C=C5)F

>  <Isomeric SMILES>
CCC1=C(C2=C(N1C3=CC=CC=C3)C=C(C=C2)F)C4CCN(CC4)CCCSC5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C30H32F2N2S/c1-2-28-30(27-14-11-24(32)21-29(27)34(28)25-7-4-3-5-8-25)22-15-18-33(19-16-22)17-6-20-35-26-12-9-23(31)10-13-26/h3-5,7-14,21-22H,2,6,15-20H2,1H3

>  <InChI Key>
YWGYONXMCGHURW-UHFFFAOYSA-N

