
 CHEMBL211373

 61 65  0  0  0  0  0  0  0  0999 V2000
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    3.1141   -2.1862   -0.4500 H   0  0  0  0  0
    2.5522   -1.1237   -1.7041 H   0  0  0  0  0
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    2.4244   -0.0046    0.5775 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
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  1 32  1  0  0  0
  2  3  1  0  0  0
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  4 30  1  0  0  0
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  7 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL211373

>  <PubChem CID>
18441735

>  <Formula>
C25H31N3O2

>  <Molecular Weight>
405.542000

>  <IUPAC Name>
8-(2-hydroxy-2-phenylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(C(C1)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4)(C5=CC=CC=C5)O

>  <Isomeric SMILES>
C1CCC(C(C1)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4)(C5=CC=CC=C5)O

>  <InChI Std. ID>
InChI=1S/C25H31N3O2/c29-23-24(28(19-26-23)21-11-5-2-6-12-21)15-17-27(18-16-24)22-13-7-8-14-25(22,30)20-9-3-1-4-10-20/h1-6,9-12,22,30H,7-8,13-19H2,(H,26,29)

>  <InChI Key>
BONFVDJOYDFOEN-UHFFFAOYSA-N

