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canSAR829300
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NAMES
    SMILES
    O=S1(=O)N[C@]2(CN1CC(F)(F)F)[C@H]1CC[C@@H]2Cc2cc(-c3cn(-c4ccc(F)cc4)cn3)ccc2C1
    InChI
    InChI=1S/C25H24F4N4O2S/c26-21-5-7-22(8-6-21)32-12-23(30-15-32)17-2-1-16-10-19-3-4-20(11-18(16)9-17)24(19)13-33(14-25(27,28)29)36(34,35)31-24/h1-2,5-9,12,15,19-20,31H,3-4,10-11,13-14H2/t19-,20+,24+/m0/s1
    MOLECULAR FORMULA
    C25H24F4N4O2S
    CROSS REFERENCES
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    canSAR829300

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.16
    AlogP 4.25
    HBond donors 1
    HBond acceptors 6
    Atoms 60
    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 canSAR829300.