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canSAR150529
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NAMES
    SMILES
    O=C(Cn1cc(Cc2cnc(C3CC3)nc2)c(=O)nc1SCc1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2)CC1
    InChI
    InChI=1S/C31H30ClFN6O2S/c32-25-5-9-27(10-6-25)37-11-13-38(14-12-37)28(40)19-39-18-24(15-22-16-34-29(35-17-22)23-3-4-23)30(41)36-31(39)42-20-21-1-7-26(33)8-2-21/h1-2,5-10,16-18,23H,3-4,11-15,19-20H2
    MOLECULAR FORMULA
    C31H30ClFN6O2S
    CROSS REFERENCES
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    canSAR150529

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 604.18
    AlogP 4.94
    HBond donors 0
    HBond acceptors 8
    Atoms 72
    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 canSAR150529.