
 VU0152119

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M  END

>  <Chemical Name>
VU0152119

>  <PubChem CID>
45142471

>  <Formula>
C23H28N4O4S

>  <Molecular Weight>
456.561000

>  <IUPAC Name>
3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3=CC=C(C=C3)OC)N)OCCN4CCOCC4

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3=CC=C(C=C3)OC)N)OCCN4CCOCC4

>  <InChI Std. ID>
InChI=1S/C23H28N4O4S/c1-15-13-18(31-12-9-27-7-10-30-11-8-27)26-23-19(15)20(24)21(32-23)22(28)25-14-16-3-5-17(29-2)6-4-16/h3-6,13H,7-12,14,24H2,1-2H3,(H,25,28)

>  <InChI Key>
GRBWIUCZMJGFMR-UHFFFAOYSA-N

