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canSAR1616472
FEATURES
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NAMES
    SMILES
    CCNc1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)cc(N2CCCCS2(=O)=O)c1
    InChI
    InChI=1S/C31H35F5N4O4S/c1-2-38-26-14-22(15-27(17-26)40-8-3-4-9-45(40,43)44)30(42)39-28(13-21-11-24(32)16-25(33)12-21)29(41)19-37-18-20-6-5-7-23(10-20)31(34,35)36/h5-7,10-12,14-17,28-29,37-38,41H,2-4,8-9,13,18-19H2,1H3,(H,39,42)/t28-,29+/m0/s1
    MOLECULAR FORMULA
    C31H35F5N4O4S
    CROSS REFERENCES
    1616472 logo

    canSAR1616472

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 654.23
    AlogP 4.84
    HBond donors 4
    HBond acceptors 8
    Atoms 80
    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 canSAR1616472.