canSAR823075
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(=O)CCCC(=O)N(C)C)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C
    InChI
    InChI=1S/C52H60N2O15/c1-29-34(66-48(63)41(59)40(31-18-11-8-12-19-31)53-46(61)32-20-13-9-14-21-32)27-52(64)45(68-47(62)33-22-15-10-16-23-33)43-50(5,35(56)26-36-51(43,28-65-36)69-30(2)55)44(60)42(39(29)49(52,3)4)67-38(58)25-17-24-37(57)54(6)7/h8-16,18-23,34-36,40-43,45,56,59,64H,17,24-28H2,1-7H3,(H,53,61)/t34-,35-,36+,40-,41+,42+,43-,45-,50+,51-,52+/m0/s1
    MOLECULAR FORMULA
    C52H60N2O15
    CROSS REFERENCES
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    canSAR823075
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight952.40
    AlogP3.97
    HBond donors4
    HBond acceptors17
    Atoms129
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823075.