
 CHEMBL12085

 71 75  0  0  0  0  0  0  0  0999 V2000
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    5.4570   -9.2010    4.0434 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL12085

>  <PubChem CID>
44267703

>  <Formula>
C30H35N3O2S

>  <Molecular Weight>
501.689000

>  <IUPAC Name>
2-[4-[[1-[1-(naphthalene-1-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]phenyl]sulfanylacetamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1CC2=CC=C(C=C2)SCC(=O)N)C3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54

>  <Isomeric SMILES>
C1CN(CCC1CC2=CC=C(C=C2)SCC(=O)N)C3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C30H35N3O2S/c31-29(34)21-36-26-10-8-22(9-11-26)20-23-12-16-32(17-13-23)25-14-18-33(19-15-25)30(35)28-7-3-5-24-4-1-2-6-27(24)28/h1-11,23,25H,12-21H2,(H2,31,34)

>  <InChI Key>
AILGEGRMLODSTH-UHFFFAOYSA-N

