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canSAR1126308
FEATURES
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NAMES
    SMILES
    O=C(CNS(=O)(=O)c1cccs1)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1
    InChI
    InChI=1S/C22H24FN7O5S2/c23-18-12-16(30-15-17(35-22(30)32)14-29-6-5-24-26-29)3-4-19(18)27-7-9-28(10-8-27)20(31)13-25-37(33,34)21-2-1-11-36-21/h1-6,11-12,17,25H,7-10,13-15H2/t17-/m0/s1
    MOLECULAR FORMULA
    C22H24FN7O5S2
    CROSS REFERENCES
    1126308 logo

    canSAR1126308

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.13
    AlogP 1.13
    HBond donors 1
    HBond acceptors 12
    Atoms 61
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1126308.