466528 logo
canSAR466528
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1c2c(cc3c1C(OC)CC(C)(O)C3)C(=O)c1c3c(cc(O)c1C2=O)C1(C)OC(O3)C(O)C(N(C)C)C1O
    InChI
    InChI=1S/C29H33NO10/c1-28(36)9-11-7-12-17(25(38-6)16(11)15(10-28)37-5)22(33)18-14(31)8-13-24(19(18)21(12)32)39-27-23(34)20(30(3)4)26(35)29(13,2)40-27/h7-8,15,20,23,26-27,31,34-36H,9-10H2,1-6H3
    MOLECULAR FORMULA
    C29H33NO10
    CROSS REFERENCES
    466528 logo

    canSAR466528

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 555.21
    AlogP 1.18
    HBond donors 4
    HBond acceptors 11
    Atoms 73
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR466528.