
 SCHEMBL447348

 63 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL447348

>  <PubChem CID>
87108834

>  <Formula>
C25H24ClF6N5O2

>  <Molecular Weight>
575.940000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)C(F)(F)F)NC2=NC3=C(CN(CC3)C(=O)C4=C(C=C(C=C4F)F)F)C(=O)N2N(C)C.Cl

>  <Isomeric SMILES>
C[C@@H](C1=CC=C(C=C1)C(F)(F)F)NC2=NC3=C(CN(CC3)C(=O)C4=C(C=C(C=C4F)F)F)C(=O)N2N(C)C.Cl

>  <InChI Std. ID>
InChI=1S/C25H23F6N5O2.ClH/c1-13(14-4-6-15(7-5-14)25(29,30)31)32-24-33-20-8-9-35(12-17(20)22(37)36(24)34(2)3)23(38)21-18(27)10-16(26)11-19(21)28;/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,32,33);1H/t13-;/m0./s1

>  <InChI Key>
KWMQFNWGZLXEOY-ZOWNYOTGSA-N

