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canSAR1016253
FEATURES
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NAMES
    SMILES
    O=c1[nH]c2c(O)ccc([C@@H](O)CNCCc3cccc(CNCc4ccccc4F)c3)c2s1
    InChI
    InChI=1S/C25H26FN3O3S/c26-20-7-2-1-6-18(20)14-28-13-17-5-3-4-16(12-17)10-11-27-15-22(31)19-8-9-21(30)23-24(19)33-25(32)29-23/h1-9,12,22,27-28,30-31H,10-11,13-15H2,(H,29,32)/t22-/m0/s1
    MOLECULAR FORMULA
    C25H26FN3O3S
    CROSS REFERENCES
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    canSAR1016253

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 467.17
    AlogP 3.59
    HBond donors 5
    HBond acceptors 6
    Atoms 59
    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 canSAR1016253.