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canSAR836713
FEATURES
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NAMES
    SMILES
    COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc(OC4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)cc1)=CC3=O)C2=O
    InChI
    InChI=1S/C44H41NO16/c1-19-13-28-36(33(14-19)54-7)32(51)16-29(38(28)52)35-20(2)15-27-31(50)17-30(39(53)37(27)41(35)55-8)45-25-9-11-26(12-10-25)60-44-43(59-24(6)49)42(58-23(5)48)40(57-22(4)47)34(61-44)18-56-21(3)46/h9-17,34,40,42-45H,18H2,1-8H3/t34-,40-,42+,43+,44?/m1/s1
    MOLECULAR FORMULA
    C44H41NO16
    CROSS REFERENCES
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    canSAR836713

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 839.24
    AlogP 4.62
    HBond donors 1
    HBond acceptors 17
    Atoms 102
    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 canSAR836713.