
 CHEMBL1688377

 48 52  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1688377

>  <PubChem CID>
18138918

>  <Formula>
C18H25N3OS

>  <Molecular Weight>
331.478000

>  <IUPAC Name>
1-adamantyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1C2=NC=CS2)C(=O)C34CC5CC(C3)CC(C5)C4

>  <Isomeric SMILES>
C1CN(CCN1C2=NC=CS2)C(=O)C34CC5CC(C3)CC(C5)C4

>  <InChI Std. ID>
InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2

>  <InChI Key>
CXTMBWBHTXAOFX-UHFFFAOYSA-N

