
 CHEMBL187071

 57 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL187071

>  <PubChem CID>
11351928

>  <Formula>
C22H23F3N8O

>  <Molecular Weight>
472.476000

>  <IUPAC Name>
2-(furan-2-yl)-7-N-methyl-7-N-[2-[4-(2,4,6-trifluorophenyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CN(CCN1CCN(CC1)C2=C(C=C(C=C2F)F)F)C3=CC4=NC(=NN4C(=N3)N)C5=CC=CO5

>  <Isomeric SMILES>
CN(CCN1CCN(CC1)C2=C(C=C(C=C2F)F)F)C3=CC4=NC(=NN4C(=N3)N)C5=CC=CO5

>  <InChI Std. ID>
InChI=1S/C22H23F3N8O/c1-30(18-13-19-27-21(17-3-2-10-34-17)29-33(19)22(26)28-18)4-5-31-6-8-32(9-7-31)20-15(24)11-14(23)12-16(20)25/h2-3,10-13H,4-9H2,1H3,(H2,26,28)

>  <InChI Key>
AWZBLJMDHCKOOF-UHFFFAOYSA-N

