
 CHEMBL16994

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M  END

>  <Chemical Name>
CHEMBL16994

>  <PubChem CID>
44271229

>  <Formula>
C23H25ClN4O3S

>  <Molecular Weight>
472.988000

>  <IUPAC Name>
1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide

>  <XlogP>
2.900

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CCC1=CC=CC=N1)C(=O)C2CCN(CC2)C(=O)CN3C4=C(C=CC(=C4)Cl)SC3=O

>  <Isomeric SMILES>
CN(CCC1=CC=CC=N1)C(=O)C2CCN(CC2)C(=O)CN3C4=C(C=CC(=C4)Cl)SC3=O

>  <InChI Std. ID>
InChI=1S/C23H25ClN4O3S/c1-26(11-9-18-4-2-3-10-25-18)22(30)16-7-12-27(13-8-16)21(29)15-28-19-14-17(24)5-6-20(19)32-23(28)31/h2-6,10,14,16H,7-9,11-13,15H2,1H3

>  <InChI Key>
ACLGJXHYUACAGM-UHFFFAOYSA-N

