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canSAR656588
FEATURES
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NAMES
    SMILES
    CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2ccccn2)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O
    InChI
    InChI=1S/C38H47NO10/c1-17(2)13-22(40)27-33(44)28(23(41)14-18(3)4)36(47)31(35(27)46)26(21-11-9-10-12-39-21)32-37(48)29(24(42)15-19(5)6)34(45)30(38(32)49)25(43)16-20(7)8/h9-12,17-20,26,44-49H,13-16H2,1-8H3
    MOLECULAR FORMULA
    C38H47NO10
    CROSS REFERENCES
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    canSAR656588

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 677.32
    AlogP 7.41
    HBond donors 6
    HBond acceptors 11
    Atoms 96
    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 canSAR656588.