
 SCHEMBL1671801

 54 58  0  0  0  0  0  0  0  0999 V2000
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    5.2671   -2.3387    1.9030 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1671801

>  <PubChem CID>
67116576

>  <Formula>
C23H23FN6O

>  <Molecular Weight>
418.476000

>  <IUPAC Name>
[(1S,6R)-7-(4,6-dimethylpyrimidin-2-yl)-4,7-diazabicyclo[4.2.0]octan-4-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC(=NC(=N1)N2CC3C2CN(CC3)C(=O)C4=C(C(=CC=C4)F)C5=NC=CC=N5)C

>  <Isomeric SMILES>
CC1=CC(=NC(=N1)N2C[C@H]3[C@@H]2CN(CC3)C(=O)C4=C(C(=CC=C4)F)C5=NC=CC=N5)C

>  <InChI Std. ID>
InChI=1S/C23H23FN6O/c1-14-11-15(2)28-23(27-14)30-12-16-7-10-29(13-19(16)30)22(31)17-5-3-6-18(24)20(17)21-25-8-4-9-26-21/h3-6,8-9,11,16,19H,7,10,12-13H2,1-2H3/t16-,19-/m0/s1

>  <InChI Key>
ADBOZGRDDFIONY-LPHOPBHVSA-N

