
 SCHEMBL1673234

 52 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1673234

>  <PubChem CID>
67117283

>  <Formula>
C22H22FN5O2

>  <Molecular Weight>
407.449000

>  <IUPAC Name>
[(1S,6R)-7-(4,6-dimethylpyrimidin-2-yl)-4,7-diazabicyclo[4.2.0]octan-4-yl]-[5-(2-fluorophenyl)-1,3-oxazol-4-yl]methanone

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC(=NC(=N1)N2CC3C2CN(CC3)C(=O)C4=C(OC=N4)C5=CC=CC=C5F)C

>  <Isomeric SMILES>
CC1=CC(=NC(=N1)N2C[C@H]3[C@@H]2CN(CC3)C(=O)C4=C(OC=N4)C5=CC=CC=C5F)C

>  <InChI Std. ID>
InChI=1S/C22H22FN5O2/c1-13-9-14(2)26-22(25-13)28-10-15-7-8-27(11-18(15)28)21(29)19-20(30-12-24-19)16-5-3-4-6-17(16)23/h3-6,9,12,15,18H,7-8,10-11H2,1-2H3/t15-,18-/m0/s1

>  <InChI Key>
ADLJMXGXMGUKOJ-YJBOKZPZSA-N

