
 CHEMBL21607

 62 66  0  0  0  0  0  0  0  0999 V2000
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    0.5771   -6.1358    3.2565 Cl  0  0  0  0  0
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    3.7521    0.6793   -0.3603 H   0  0  0  0  0
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    3.1142   -2.7209   -1.6348 H   0  0  0  0  0
    4.4143   -4.6973   -0.9357 H   0  0  0  0  0
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  1  6  1  0  0  0
  1  2  1  0  0  0
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  2  3  1  0  0  0
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  3  4  1  0  0  0
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  5 43  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
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  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL21607

>  <PubChem CID>
10142159

>  <Formula>
C28H27Cl2N3O2

>  <Molecular Weight>
508.443000

>  <IUPAC Name>
1-(4-benzyl-4-hydroxypiperidin-1-yl)-3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1(CC2=CC=CC=C2)O)C(=O)CCC3=C(N=C4N3C=C(C=C4)Cl)C5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
C1CN(CCC1(CC2=CC=CC=C2)O)C(=O)CCC3=C(N=C4N3C=C(C=C4)Cl)C5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C28H27Cl2N3O2/c29-22-8-6-21(7-9-22)27-24(33-19-23(30)10-12-25(33)31-27)11-13-26(34)32-16-14-28(35,15-17-32)18-20-4-2-1-3-5-20/h1-10,12,19,35H,11,13-18H2

>  <InChI Key>
ABOQXCXLCHOJSM-UHFFFAOYSA-N

