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canSAR559100
FEATURES
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NAMES
    SMILES
    CCc1cn2c3c(cc(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)CNC4CCOCC4)cc13)N(C)S(=O)(=O)C2.O=CO
    InChI
    InChI=1S/C28H36N4O5S.CH2O2/c1-3-20-17-32-18-38(35,36)31(2)25-15-21(14-23(20)27(25)32)28(34)30-24(13-19-7-5-4-6-8-19)26(33)16-29-22-9-11-37-12-10-22;2-1-3/h4-8,14-15,17,22,24,26,29,33H,3,9-13,16,18H2,1-2H3,(H,30,34);1H,(H,2,3)
    MOLECULAR FORMULA
    C29H38N4O7S
    CROSS REFERENCES
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    canSAR559100

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 586.25
    AlogP 2.11
    HBond donors 4
    HBond acceptors 11
    Atoms 79
    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 canSAR559100.