
 SCHEMBL434942

 66 70  0  0  0  0  0  0  0  0999 V2000
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    7.4247   -0.8530    1.8073 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL434942

>  <PubChem CID>
57378697

>  <Formula>
C28H26F3N5O4

>  <Molecular Weight>
553.542000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCON1C(=O)C2=C(CCN(C2)C(=O)C3=CC=C(C=C3)C4=CN=CO4)N=C1NC(C)C5=CC=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
CCON1C(=O)C2=C(CCN(C2)C(=O)C3=CC=C(C=C3)C4=CN=CO4)N=C1N[C@@H](C)C5=CC=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C28H26F3N5O4/c1-3-40-36-26(38)22-15-35(25(37)20-6-4-19(5-7-20)24-14-32-16-39-24)13-12-23(22)34-27(36)33-17(2)18-8-10-21(11-9-18)28(29,30)31/h4-11,14,16-17H,3,12-13,15H2,1-2H3,(H,33,34)/t17-/m0/s1

>  <InChI Key>
ADBZYMOKGJVIQN-KRWDZBQOSA-N

