
 CHEMBL233749

 56 59  0  0  0  0  0  0  0  0999 V2000
    0.6827    1.3692    0.0415 C   0  0  0  0  0
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  1  6  1  0  0  0
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  1 32  1  0  0  0
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  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
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  6 15  1  0  0  0
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 29 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL233749

>  <PubChem CID>
44430046

>  <Formula>
C25H26Cl2N2O

>  <Molecular Weight>
441.396000

>  <IUPAC Name>
4-[2-(aminomethyl)phenyl]-1-[bis(4-chlorophenyl)methyl]piperidin-4-ol

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=CC=C2CN)O)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=CC=C2CN)O)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C25H26Cl2N2O/c26-21-9-5-18(6-10-21)24(19-7-11-22(27)12-8-19)29-15-13-25(30,14-16-29)23-4-2-1-3-20(23)17-28/h1-12,24,30H,13-17,28H2

>  <InChI Key>
ASFBQTPLOUDQLA-UHFFFAOYSA-N

