
 CHEMBL3354804

 57 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3354804

>  <PubChem CID>
118720431

>  <Formula>
C26H22F4N4O

>  <Molecular Weight>
482.483000

>  <IUPAC Name>


>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CC1C2(C3=C(CN2)C=NC4=C(C(=NN34)CO)C5=CC=C(C=C5)C(F)(F)F)CC6=CC(=CC=C6)F

>  <Isomeric SMILES>
C1CC1[C@@]2(C3=C(CN2)C=NC4=C(C(=NN34)CO)C5=CC=C(C=C5)C(F)(F)F)CC6=CC(=CC=C6)F

>  <InChI Std. ID>
InChI=1S/C26H22F4N4O/c27-20-3-1-2-15(10-20)11-25(18-8-9-18)23-17(13-32-25)12-31-24-22(21(14-35)33-34(23)24)16-4-6-19(7-5-16)26(28,29)30/h1-7,10,12,18,32,35H,8-9,11,13-14H2/t25-/m1/s1

>  <InChI Key>
GLSPPSAFNUHLJA-RUZDIDTESA-N

