
 CHEMBL3354805

 56 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3354805

>  <PubChem CID>
118720432

>  <Formula>
C25H21F4N5O

>  <Molecular Weight>
483.471000

>  <IUPAC Name>


>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

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

>  <InChI Std. ID>
InChI=1S/C25H21F4N5O/c26-18-3-1-2-14(8-18)9-24(17-5-6-17)22-16(12-32-24)11-31-23-21(19(13-35)33-34(22)23)15-4-7-20(30-10-15)25(27,28)29/h1-4,7-8,10-11,17,32,35H,5-6,9,12-13H2/t24-/m1/s1

>  <InChI Key>
APUDSMUVGAUEOX-XMMPIXPASA-N

