
 CHEMBL106406

 66 69  0  0  0  0  0  0  0  0999 V2000
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  1 32  1  0  0  0
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  2  3  2  0  0  0
  2  7  1  0  0  0
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  3  9  1  0  0  0
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  5 35  1  0  0  0
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 30 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL106406

>  <PubChem CID>
511303

>  <Formula>
C27H35IN2O

>  <Molecular Weight>
530.494000

>  <IUPAC Name>
(2,6-dimethylphenyl)-[4-[4-[(4-iodophenyl)methyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)CC4=CC=C(C=C4)I

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)C(=O)N2CCC(CC2)(C)N3CCC(CC3)CC4=CC=C(C=C4)I

>  <InChI Std. ID>
InChI=1S/C27H35IN2O/c1-20-5-4-6-21(2)25(20)26(31)29-17-13-27(3,14-18-29)30-15-11-23(12-16-30)19-22-7-9-24(28)10-8-22/h4-10,23H,11-19H2,1-3H3

>  <InChI Key>
CPELYVWCRNINCS-UHFFFAOYSA-N

