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canSAR113090
FEATURES
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NAMES
    SMILES
    CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1nc2ccccn2c(=O)c1-c1ccc(C#N)cc1
    InChI
    InChI=1S/C30H26F4N4O4S/c1-3-43(41,42)15-14-37(26(39)17-21-9-12-24(31)23(16-21)30(32,33)34)19(2)28-27(22-10-7-20(18-35)8-11-22)29(40)38-13-5-4-6-25(38)36-28/h4-13,16,19H,3,14-15,17H2,1-2H3/t19-/m1/s1
    MOLECULAR FORMULA
    C30H26F4N4O4S
    CROSS REFERENCES
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    canSAR113090

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 614.16
    AlogP 4.96
    HBond donors 0
    HBond acceptors 8
    Atoms 69
    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 canSAR113090.