canSAR1649972
FEATURES
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NAMES
    SMILES
    [NH3+][C@H]1CN(c2ccc3ncnc(C4CC4)c3n2)CC[C@@H]1c1cc(F)c(F)cc1F
    InChI
    InChI=1S/C21H20F3N5/c22-14-8-16(24)15(23)7-13(14)12-5-6-29(9-17(12)25)19-4-3-18-21(28-19)20(11-1-2-11)27-10-26-18/h3-4,7-8,10-12,17H,1-2,5-6,9,25H2/p+1/t12-,17+/m1/s1
    MOLECULAR FORMULA
    C21H21F3N5+
    CROSS REFERENCES
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    canSAR1649972
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight400.17
    AlogP2.92
    HBond donors3
    HBond acceptors5
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1649972.