
 SCHEMBL16818198

 64 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL16818198

>  <PubChem CID>
118159217

>  <Formula>
C24H30F2N6O2

>  <Molecular Weight>
472.541000

>  <IUPAC Name>
1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-[[(3R)-oxolan-3-yl]amino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(=O)N1CCC2=C(C1)N=C(C(=N2)N3CCN(CC3)CC4=C(C=C(C=C4)F)F)NC5CCOC5

>  <Isomeric SMILES>
CC(=O)N1CCC2=C(C1)N=C(C(=N2)N3CCN(CC3)CC4=C(C=C(C=C4)F)F)N[C@@H]5CCOC5

>  <InChI Std. ID>
InChI=1S/C24H30F2N6O2/c1-16(33)32-6-4-21-22(14-32)28-23(27-19-5-11-34-15-19)24(29-21)31-9-7-30(8-10-31)13-17-2-3-18(25)12-20(17)26/h2-3,12,19H,4-11,13-15H2,1H3,(H,27,28)/t19-/m1/s1

>  <InChI Key>
DDOBOIJPLXJEPX-LJQANCHMSA-N

