
 SCHEMBL2712382

 55 57  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL2712382

>  <PubChem CID>
67508115

>  <Formula>
C21H27ClN4O2

>  <Molecular Weight>
402.923000

>  <IUPAC Name>
1-[4-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CC(C)(C)O)C

>  <Isomeric SMILES>
CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CC(C)(C)O)C

>  <InChI Std. ID>
InChI=1S/C21H27ClN4O2/c1-14-9-15(2)20(24-12-14)16-10-18(23-13-17(16)22)25-5-7-26(8-6-25)19(27)11-21(3,4)28/h9-10,12-13,28H,5-8,11H2,1-4H3

>  <InChI Key>
AYDWPNRAMSJSLH-UHFFFAOYSA-N

