
 CHEMBL3262426

 62 65  0  0  0  0  0  0  0  0999 V2000
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    1.6437    0.7901   -3.9704 H   0  0  0  0  0
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    0.7175   -6.9451   -1.3075 H   0  0  0  0  0
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    0.5838  -11.0120   -3.0807 H   0  0  0  0  0
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    3.6080    0.5148   -5.0452 H   0  0  0  0  0
    6.8157   -2.1829   -1.3111 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 32  1  0  0  0
  1 33  1  0  0  0
  2 24  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
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  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
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  5 39  1  0  0  0
  6 11  1  0  0  0
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  7  8  1  0  0  0
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3262426

>  <PubChem CID>
90656707

>  <Formula>
C27H32N2O

>  <Molecular Weight>
400.566000

>  <IUPAC Name>
3-[3-(4,4-diphenylpiperidin-1-yl)propyl-methylamino]phenol

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CCCN1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)O

>  <Isomeric SMILES>
CN(CCCN1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)O

>  <InChI Std. ID>
InChI=1S/C27H32N2O/c1-28(25-14-8-15-26(30)22-25)18-9-19-29-20-16-27(17-21-29,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-8,10-15,22,30H,9,16-21H2,1H3

>  <InChI Key>
AFDSSVNGSLDLQA-UHFFFAOYSA-N

