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canSAR1102626
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NAMES
    SMILES
    O=C(O)c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc(O)c5)n(-c5cccc(I)c5)c4=S)CC3)c(F)cc2c1=O
    InChI
    InChI=1S/C32H28FIN6O4S/c33-26-15-24-27(38(21-7-8-21)17-25(29(24)42)31(43)44)16-28(26)37-11-9-36(10-12-37)18-39-32(45)40(22-5-2-4-20(34)14-22)30(35-39)19-3-1-6-23(41)13-19/h1-6,13-17,21,41H,7-12,18H2,(H,43,44)
    MOLECULAR FORMULA
    C32H28FIN6O4S
    CROSS REFERENCES
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    canSAR1102626

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 738.09
    AlogP 5.65
    HBond donors 2
    HBond acceptors 10
    Atoms 73
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1102626.