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canSAR777669
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4c(OC)ccc5ccccc45)C3)C(=O)O[C@]12C
    InChI
    InChI=1S/C45H65N3O11/c1-12-35-45(8)39(48(43(53)59-45)30-21-47(22-30)23-32-31-16-14-13-15-29(31)17-18-34(32)55-11)26(4)36(49)24(2)20-44(7,54)40(27(5)37(50)28(6)41(52)57-35)58-42-38(51)33(46(9)10)19-25(3)56-42/h13-18,24-28,30,33,35,38-40,42,51,54H,12,19-23H2,1-11H3/t24-,25-,26+,27+,28-,33+,35-,38-,39-,40-,42+,44-,45-/m1/s1
    MOLECULAR FORMULA
    C45H65N3O11
    CROSS REFERENCES
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    canSAR777669

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 823.46
    AlogP 4.58
    HBond donors 2
    HBond acceptors 14
    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 canSAR777669.