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canSAR739777
FEATURES
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NAMES
    SMILES
    CCCCCCCCCC(=O)OCCN1CCN(S(=O)(=O)c2ccc(OCC)c(-c3nc4c(CCC)nn(C)c4c(=O)[nH]3)c2)CC1
    InChI
    InChI=1S/C33H50N6O6S/c1-5-8-9-10-11-12-13-15-29(40)45-23-22-38-18-20-39(21-19-38)46(42,43)25-16-17-28(44-7-3)26(24-25)32-34-30-27(14-6-2)36-37(4)31(30)33(41)35-32/h16-17,24H,5-15,18-23H2,1-4H3,(H,34,35,41)
    MOLECULAR FORMULA
    C33H50N6O6S
    CROSS REFERENCES
    739777 logo

    canSAR739777

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 658.35
    AlogP 4.67
    HBond donors 1
    HBond acceptors 12
    Atoms 96
    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 canSAR739777.