
 CID 44433196

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M  END

>  <Chemical Name>
CID 44433196

>  <PubChem CID>
44433196

>  <Formula>
C17H18ClN5O2S2

>  <Molecular Weight>
423.934000

>  <IUPAC Name>
6-chloro-5-(1-piperidin-3-ylpyrrolo[2,3-b]pyridin-3-yl)sulfonyl-7,7a-dihydroimidazo[2,1-b][1,3]thiazole

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC(CNC1)N2C=C(C3=C2N=CC=C3)S(=O)(=O)C4=C(NC5N4C=CS5)Cl

>  <Isomeric SMILES>
C1CC(CNC1)N2C=C(C3=C2N=CC=C3)S(=O)(=O)C4=C(NC5N4C=CS5)Cl

>  <InChI Std. ID>
InChI=1S/C17H18ClN5O2S2/c18-14-16(22-7-8-26-17(22)21-14)27(24,25)13-10-23(11-3-1-5-19-9-11)15-12(13)4-2-6-20-15/h2,4,6-8,10-11,17,19,21H,1,3,5,9H2

>  <InChI Key>
AMYAFRNDXPYXNZ-UHFFFAOYSA-N

