
 SCHEMBL452594

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M  END

>  <Chemical Name>
SCHEMBL452594

>  <PubChem CID>
66690328

>  <Formula>
C25H22F3N5O3S

>  <Molecular Weight>
529.538000

>  <IUPAC Name>
3-methoxy-6-(thieno[2,3-b]pyridine-2-carbonyl)-2-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)C(F)(F)F)NC2=NC3=C(CN(CC3)C(=O)C4=CC5=C(S4)N=CC=C5)C(=O)N2OC

>  <Isomeric SMILES>
C[C@@H](C1=CC=C(C=C1)C(F)(F)F)NC2=NC3=C(CN(CC3)C(=O)C4=CC5=C(S4)N=CC=C5)C(=O)N2OC

>  <InChI Std. ID>
InChI=1S/C25H22F3N5O3S/c1-14(15-5-7-17(8-6-15)25(26,27)28)30-24-31-19-9-11-32(13-18(19)22(34)33(24)36-2)23(35)20-12-16-4-3-10-29-21(16)37-20/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,30,31)/t14-/m0/s1

>  <InChI Key>
LVWFGIIPYWSKIX-AWEZNQCLSA-N

