
 SCHEMBL448265

 57 60  0  0  0  0  0  0  0  0999 V2000
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    5.6730   -7.9774    0.7242 N   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL448265

>  <PubChem CID>
57378921

>  <Formula>
C23H23F3N4O3S

>  <Molecular Weight>
492.517000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CC=C(S1)C(=O)N2CCC3=C(C2)C(=O)N(C(=N3)NC(C)C4=CC=C(C=C4)C(F)(F)F)OC

>  <Isomeric SMILES>
CC1=CC=C(S1)C(=O)N2CCC3=C(C2)C(=O)N(C(=N3)N[C@@H](C)C4=CC=C(C=C4)C(F)(F)F)OC

>  <InChI Std. ID>
InChI=1S/C23H23F3N4O3S/c1-13-4-9-19(34-13)21(32)29-11-10-18-17(12-29)20(31)30(33-3)22(28-18)27-14(2)15-5-7-16(8-6-15)23(24,25)26/h4-9,14H,10-12H2,1-3H3,(H,27,28)/t14-/m0/s1

>  <InChI Key>
AYOROMCOKBCBBM-AWEZNQCLSA-N

