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canSAR1831573
FEATURES
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NAMES
    SMILES
    CCC[C@H](/C=C(\C)C[C@H](C)C[C@H](OC)C1O[C@@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)C(C)C)[C@H](C)C[C@@H]1OC)C(C)=O
    InChI
    InChI=1S/C44H73NO11/c1-12-15-33(31(8)46)21-27(4)20-28(5)22-37(53-10)40-38(54-11)24-30(7)44(51,56-40)41(48)42(49)45-19-14-13-16-34(45)43(50)55-39(26(2)3)29(6)23-32-17-18-35(47)36(25-32)52-9/h21,23,26,28,30,32-40,47,51H,12-20,22,24-25H2,1-11H3/b27-21+,29-23+/t28-,30+,32-,33+,34-,35+,36+,37-,38-,39-,40?,44+/m0/s1
    MOLECULAR FORMULA
    C44H73NO11
    CROSS REFERENCES
    1831573 logo

    canSAR1831573

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 791.52
    AlogP 6.14
    HBond donors 2
    HBond acceptors 12
    Atoms 129
    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 canSAR1831573.