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canSAR1861006
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NAMES
    SMILES
    C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
    InChI
    InChI=1S/C44H37N8.4BF4/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;4*2-1(3,4)5/h5-28H,1-4H3,(H,45,46,47,48);;;;/q+3;4*-1/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;;
    MOLECULAR FORMULA
    C44H38B4F16N8
    CROSS REFERENCES
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    canSAR1861006

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1026.33
    AlogP 11.82
    HBond donors 2
    HBond acceptors 8
    Atoms 110
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1861006.