
 SCHEMBL437447

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M  END

>  <Chemical Name>
SCHEMBL437447

>  <PubChem CID>
49821738

>  <Formula>
C26H24ClF3N4O3

>  <Molecular Weight>
532.948000

>  <IUPAC Name>
6-(4-chlorobenzoyl)-3-methoxy-2-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CON1C(=O)C2=C(CCN(C2)C(=O)C3=CC=C(C=C3)Cl)N=C1N4CCCC4C5=CC=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
CON1C(=O)C2=C(CCN(C2)C(=O)C3=CC=C(C=C3)Cl)N=C1N4CCCC4C5=CC=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H24ClF3N4O3/c1-37-34-24(36)20-15-32(23(35)17-6-10-19(27)11-7-17)14-12-21(20)31-25(34)33-13-2-3-22(33)16-4-8-18(9-5-16)26(28,29)30/h4-11,22H,2-3,12-15H2,1H3

>  <InChI Key>
LNQGWRYOWDRACP-UHFFFAOYSA-N

