
 SCHEMBL16446669

 56 59  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL16446669

>  <PubChem CID>
117858703

>  <Formula>
C21H26N6O2S

>  <Molecular Weight>
426.539000

>  <IUPAC Name>
[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CCC(CN1C(=O)C2=CC=CC=C2N3N=CN=N3)C4=NC(=C(S4)C)C(C)(C)O

>  <Isomeric SMILES>
C[C@@H]1CC[C@H](CN1C(=O)C2=CC=CC=C2N3N=CN=N3)C4=NC(=C(S4)C)C(C)(C)O

>  <InChI Std. ID>
InChI=1S/C21H26N6O2S/c1-13-9-10-15(19-24-18(14(2)30-19)21(3,4)29)11-26(13)20(28)16-7-5-6-8-17(16)27-23-12-22-25-27/h5-8,12-13,15,29H,9-11H2,1-4H3/t13-,15-/m1/s1

>  <InChI Key>
AIXHGBDMNYPTQL-UKRRQHHQSA-N

