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canSAR781231
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NAMES
    SMILES
    COC1[C@H](NC(=O)CC2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C=C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]12CCN3C
    InChI
    InChI=1S/C54H60N2O8/c1-56-28-27-54-43(46(56)29-41-23-24-42(57)30-44(41)54)25-26-45(53(54)59-2)55-49(58)31-47-50(61-33-38-17-9-4-10-18-38)52(63-35-40-21-13-6-14-22-40)51(62-34-39-19-11-5-12-20-39)48(64-47)36-60-32-37-15-7-3-8-16-37/h3-26,30,43,45-48,50-53,57H,27-29,31-36H2,1-2H3,(H,55,58)/t43-,45+,46+,47?,48?,50?,51?,52?,53?,54-/m0/s1
    MOLECULAR FORMULA
    C54H60N2O8
    CROSS REFERENCES
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    canSAR781231

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 864.43
    AlogP 7.71
    HBond donors 2
    HBond acceptors 10
    Atoms 124
    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 canSAR781231.