
 CHEMBL199035

 70 74  0  0  0  0  0  0  0  0999 V2000
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    5.4074   -5.8960    2.7200 Cl  0  0  0  0  0
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   -6.6395   -2.3866   -0.4871 H   0  0  0  0  0
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   -6.8212   -3.6675   -4.9162 H   0  0  0  0  0
   -3.6076   -6.0512   -3.3011 H   0  0  0  0  0
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   -5.1762   -3.9902    2.2611 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
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  1 39  1  0  0  0
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  9 10  2  0  0  0
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 36 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL199035

>  <PubChem CID>
11656660

>  <Formula>
C33H33Cl2NO

>  <Molecular Weight>
530.533000

>  <IUPAC Name>
4-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-(4-phenylphenyl)butyl]piperidin-4-ol

>  <XlogP>
8.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C33H33Cl2NO/c34-30-16-12-28(13-17-30)32(27-10-8-26(9-11-27)25-5-2-1-3-6-25)7-4-22-36-23-20-33(37,21-24-36)29-14-18-31(35)19-15-29/h1-3,5-6,8-19,32,37H,4,7,20-24H2

>  <InChI Key>
ROKXROUURNDTKR-UHFFFAOYSA-N

