
 CHEMBL3692736

 53 55  0  0  0  0  0  0  0  0999 V2000
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    0.4939   -8.3147   -2.2246 N   0  0  0  0  0
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  1  2  1  0  0  0
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  4  5  2  0  0  0
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  6 32  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3692736

>  <PubChem CID>
89736028

>  <Formula>
C20H26ClN5O

>  <Molecular Weight>
387.912000

>  <IUPAC Name>
N-[1-[5-chloro-4-(3-methylpyridin-2-yl)pyridin-2-yl]piperidin-4-yl]-2-(dimethylamino)acetamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(N=CC=C1)C2=CC(=NC=C2Cl)N3CCC(CC3)NC(=O)CN(C)C

>  <Isomeric SMILES>
CC1=C(N=CC=C1)C2=CC(=NC=C2Cl)N3CCC(CC3)NC(=O)CN(C)C

>  <InChI Std. ID>
InChI=1S/C20H26ClN5O/c1-14-5-4-8-22-20(14)16-11-18(23-12-17(16)21)26-9-6-15(7-10-26)24-19(27)13-25(2)3/h4-5,8,11-12,15H,6-7,9-10,13H2,1-3H3,(H,24,27)

>  <InChI Key>
AWKXNZGHJLWBIP-UHFFFAOYSA-N

