
 SCHEMBL6074126

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

>  <Chemical Name>
SCHEMBL6074126

>  <PubChem CID>
44377536

>  <Formula>
C22H26N4O3S

>  <Molecular Weight>
426.535000

>  <IUPAC Name>
5-[[4-[4-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]piperidin-1-yl]phenyl]methyl]-1,3-thiazolidine-2,4-dione

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCC1NCC(C2=CN=CC=C2)O)C3=CC=C(C=C3)CC4C(=O)NC(=O)S4

>  <Isomeric SMILES>
C1CN(CCC1NC[C@@H](C2=CN=CC=C2)O)C3=CC=C(C=C3)CC4C(=O)NC(=O)S4

>  <InChI Std. ID>
InChI=1S/C22H26N4O3S/c27-19(16-2-1-9-23-13-16)14-24-17-7-10-26(11-8-17)18-5-3-15(4-6-18)12-20-21(28)25-22(29)30-20/h1-6,9,13,17,19-20,24,27H,7-8,10-12,14H2,(H,25,28,29)/t19-,20?/m0/s1

>  <InChI Key>
AWMGTFQYJPFJJO-XJDOXCRVSA-N

