
 SCHEMBL450489

 63 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL450489

>  <PubChem CID>
66689597

>  <Formula>
C26H27F3N4O3

>  <Molecular Weight>
500.522000

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

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C=C(C=C1)C(=O)N2CCC3=C(C2)C(=O)N(C(=N3)NC(C)C4=CC=C(C=C4)C(F)(F)F)OC)C

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)C(=O)N2CCC3=C(C2)C(=O)N(C(=N3)N[C@@H](C)C4=CC=C(C=C4)C(F)(F)F)OC)C

>  <InChI Std. ID>
InChI=1S/C26H27F3N4O3/c1-15-5-6-19(13-16(15)2)23(34)32-12-11-22-21(14-32)24(35)33(36-4)25(31-22)30-17(3)18-7-9-20(10-8-18)26(27,28)29/h5-10,13,17H,11-12,14H2,1-4H3,(H,30,31)/t17-/m0/s1

>  <InChI Key>
NBBWMTCTNBMXIN-KRWDZBQOSA-N

