
 VU0152121

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M  END

>  <Chemical Name>
VU0152121

>  <PubChem CID>
45142473

>  <Formula>
C24H30N4O3S

>  <Molecular Weight>
454.589000

>  <IUPAC Name>
3-amino-N-[(4-methoxyphenyl)methyl]-4-methyl-6-[(1-methylpiperidin-3-yl)methoxy]thieno[2,3-b]pyridine-2-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3=CC=C(C=C3)OC)N)OCC4CCCN(C4)C

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3=CC=C(C=C3)OC)N)OCC4CCCN(C4)C

>  <InChI Std. ID>
InChI=1S/C24H30N4O3S/c1-15-11-19(31-14-17-5-4-10-28(2)13-17)27-24-20(15)21(25)22(32-24)23(29)26-12-16-6-8-18(30-3)9-7-16/h6-9,11,17H,4-5,10,12-14,25H2,1-3H3,(H,26,29)

>  <InChI Key>
CIBXLIIYKIADDU-UHFFFAOYSA-N

