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canSAR1864928
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NAMES
    SMILES
    COc1cc(-c2c3c(cc4c2OCO4)[C@@H](Nc2ccc(-c4ccc(-c5ccc(N[C@@H]6c7cc8c(cc7[C@@H](c7cc(OC)c(O)c(OC)c7)[C@H]7C(=O)OC[C@H]67)OCO8)cc5)cc4)cc2)[C@H]2COC(=O)[C@@H]2C3)cc(OC)c1O
    InChI
    InChI=1S/C60H52N2O14/c1-67-46-17-33(18-47(68-2)56(46)63)51-38-22-44-45(74-27-73-44)23-39(38)55(43-26-72-60(66)53(43)51)62-36-15-11-32(12-16-36)30-7-5-29(6-8-30)31-9-13-35(14-10-31)61-54-40-24-50-58(76-28-75-50)52(37(40)21-41-42(54)25-71-59(41)65)34-19-48(69-3)57(64)49(20-34)70-4/h5-20,22-24,41-43,51,53-55,61-64H,21,25-28H2,1-4H3/t41-,42+,43+,51-,53+,54-,55-/m1/s1
    MOLECULAR FORMULA
    C60H52N2O14
    CROSS REFERENCES
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    canSAR1864928

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1024.34
    AlogP 10.18
    HBond donors 4
    HBond acceptors 16
    Atoms 128
    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 canSAR1864928.