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canSAR347503
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc(C(=O)Oc4ccccc4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C
    InChI
    InChI=1S/C50H50O16/c1-27-38-40(61-29(3)52)42(55)48(7)35(63-37(54)23-20-31-18-21-33(22-19-31)45(56)62-34-16-12-9-13-17-34)24-36-49(26-59-36,65-30(4)53)41(48)44(58-25-32-14-10-8-11-15-32)50(47(38,5)6)43(64-46(57)66-50)39(27)60-28(2)51/h8-23,35-36,39-41,43-44H,24-26H2,1-7H3/b23-20+/t35-,36+,39+,40+,41-,43-,44-,48+,49-,50+/m0/s1
    MOLECULAR FORMULA
    C50H50O16
    CROSS REFERENCES
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    canSAR347503

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 906.31
    AlogP 6.22
    HBond donors 0
    HBond acceptors 16
    Atoms 116
    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 canSAR347503.