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canSAR466007
FEATURES
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NAMES
    SMILES
    CCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)cc(C(O)NC)c21
    InChI
    InChI=1S/C25H34N6O5S/c1-7-10-30-21-18(22(32)26-5)12-16(27-23(33)29-25(2,3)4)13-19(21)28-24(30)37-14-15-11-17(31(34)35)8-9-20(15)36-6/h8-9,11-13,22,26,32H,7,10,14H2,1-6H3,(H2,27,29,33)
    MOLECULAR FORMULA
    C25H34N6O5S
    CROSS REFERENCES
    466007 logo

    canSAR466007

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 530.23
    AlogP 4.79
    HBond donors 4
    HBond acceptors 11
    Atoms 71
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR466007.