
 BU-E-76

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M  END

>  <Chemical Name>
BU-E-76

>  <PubChem CID>
3081064

>  <Formula>
C21H24F2N6

>  <Molecular Weight>
398.462000

>  <IUPAC Name>
1-[3-(3,5-difluorophenyl)-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=NC(=C1)C(CCNC(=NCCCC2=CN=CN2)N)C3=CC(=CC(=C3)F)F

>  <Isomeric SMILES>
C1=CC=NC(=C1)C(CCNC(=NCCCC2=CN=CN2)N)C3=CC(=CC(=C3)F)F

>  <InChI Std. ID>
InChI=1S/C21H24F2N6/c22-16-10-15(11-17(23)12-16)19(20-5-1-2-7-26-20)6-9-28-21(24)27-8-3-4-18-13-25-14-29-18/h1-2,5,7,10-14,19H,3-4,6,8-9H2,(H,25,29)(H3,24,27,28)

>  <InChI Key>
AWNVXDSGXRUHRY-UHFFFAOYSA-N

