
 SCHEMBL437401

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M  END

>  <Chemical Name>
SCHEMBL437401

>  <PubChem CID>
66686102

>  <Formula>
C27H24F3N5O3

>  <Molecular Weight>
523.516000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)C(F)(F)F)NC2=NC3=C(CN(CC3)C(=O)C4=CC5=CC=CC=C5N=C4)C(=O)N2OC

>  <Isomeric SMILES>
CC(C1=CC=C(C=C1)C(F)(F)F)NC2=NC3=C(CN(CC3)C(=O)C4=CC5=CC=CC=C5N=C4)C(=O)N2OC

>  <InChI Std. ID>
InChI=1S/C27H24F3N5O3/c1-16(17-7-9-20(10-8-17)27(28,29)30)32-26-33-23-11-12-34(15-21(23)25(37)35(26)38-2)24(36)19-13-18-5-3-4-6-22(18)31-14-19/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,32,33)

>  <InChI Key>
IVSFHOPYUVFWPS-UHFFFAOYSA-N

