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canSAR1122485
FEATURES
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NAMES
    SMILES
    CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCC(C(=O)c3csc(CN4CCN(c5ccccc5)CC4)n3)[C@@H]21
    InChI
    InChI=1S/C26H34N4O4S2/c1-17(2)23-24-19(9-10-21(24)30(26(23)32)36(3,33)34)25(31)20-16-35-22(27-20)15-28-11-13-29(14-12-28)18-7-5-4-6-8-18/h4-8,16-17,19,21,23-24H,9-15H2,1-3H3/t19?,21-,23+,24-/m0/s1
    MOLECULAR FORMULA
    C26H34N4O4S2
    CROSS REFERENCES
    1122485 logo

    canSAR1122485

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 530.20
    AlogP 3.12
    HBond donors 0
    HBond acceptors 8
    Atoms 70
    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 canSAR1122485.