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canSAR112563
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NAMES
    SMILES
    O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1
    InChI
    InChI=1S/C31H29F3N6O4S/c32-31(33,34)44-28-11-5-23(6-12-28)18-26-20-37-40(38-26)27-9-13-29(14-10-27)45(42,43)39-25-7-3-22(4-8-25)15-17-36-21-30(41)24-2-1-16-35-19-24/h1-14,16,19-20,30,36,39,41H,15,17-18,21H2/t30-/m0/s1
    MOLECULAR FORMULA
    C31H29F3N6O4S
    CROSS REFERENCES
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    canSAR112563

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 638.19
    AlogP 4.82
    HBond donors 3
    HBond acceptors 10
    Atoms 74
    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 canSAR112563.