
 SCHEMBL435817

 61 64  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL435817

>  <PubChem CID>
57378694

>  <Formula>
C25H22F6N4O4

>  <Molecular Weight>
556.465000

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

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
11

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

>  <InChI Std. ID>
InChI=1S/C25H22F6N4O4/c1-14(15-3-7-17(8-4-15)24(26,27)28)32-23-33-20-11-12-34(13-19(20)22(37)35(23)38-2)21(36)16-5-9-18(10-6-16)39-25(29,30)31/h3-10,14H,11-13H2,1-2H3,(H,32,33)/t14-/m0/s1

>  <InChI Key>
OAKGSJNBUNMMMG-AWEZNQCLSA-N

