
 SCHEMBL1074886

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M  END

>  <Chemical Name>
SCHEMBL1074886

>  <PubChem CID>
58509106

>  <Formula>
C22H25N5O4S

>  <Molecular Weight>
455.533000

>  <IUPAC Name>
N-[4-(2-cyanopyrrol-1-yl)-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCC1O)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC=CC4=C3C=CN4

>  <Isomeric SMILES>
C1CN(CCC1O)C(=O)C(CCN2C=CC=C2C#N)NS(=O)(=O)C3=CC=CC4=C3C=CN4

>  <InChI Std. ID>
InChI=1S/C22H25N5O4S/c23-15-16-3-2-11-26(16)14-9-20(22(29)27-12-7-17(28)8-13-27)25-32(30,31)21-5-1-4-19-18(21)6-10-24-19/h1-6,10-11,17,20,24-25,28H,7-9,12-14H2

>  <InChI Key>
BCRSXQKVHOHKBH-UHFFFAOYSA-N

