
 SCHEMBL437451

 61 64  0  0  0  0  0  0  0  0999 V2000
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    0.1782   -0.4035   -1.6057 H   0  0  0  0  0
    2.9890   -0.7507    0.2989 H   0  0  0  0  0
    8.5377    2.2987    1.5915 H   0  0  0  0  0
    8.8314    1.9097   -0.0984 H   0  0  0  0  0
    7.1400    5.7006    0.7126 H   0  0  0  0  0
    7.1765    4.5132    2.0155 H   0  0  0  0  0
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    4.9351    4.5218    1.1190 H   0  0  0  0  0
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    6.2090   -1.8489   -1.4592 H   0  0  0  0  0
    4.4845   -1.4548   -1.7648 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL437451

>  <PubChem CID>
66686124

>  <Formula>
C26H25F3N4O3

>  <Molecular Weight>
498.506000

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

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

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

>  <InChI Std. ID>
InChI=1S/C26H25F3N4O3/c1-4-17-5-7-19(8-6-17)23(34)32-14-13-22-21(15-32)24(35)33(36-3)25(31-22)30-16(2)18-9-11-20(12-10-18)26(27,28)29/h4-12,16H,1,13-15H2,2-3H3,(H,30,31)/t16-/m0/s1

>  <InChI Key>
COKHVEHQEAGIOJ-INIZCTEOSA-N

