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canSAR829076
FEATURES
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NAMES
    SMILES
    C=CCCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@H](OC(=O)CCC=C)[C@@H](C)C(=O)[C@H](C)C[C@]2(C)O)O[C@H](C)C[C@@H]1N(C)C
    InChI
    InChI=1S/C47H79NO15/c1-16-19-21-34(49)60-39-32(48(13)14)23-27(5)57-44(39)63-41-29(7)38(62-36-25-46(11,56-15)40(52)31(9)58-36)30(8)43(53)59-33(18-3)47(12,55)42(61-35(50)22-20-17-2)28(6)37(51)26(4)24-45(41,10)54/h16-17,26-33,36,38-42,44,52,54-55H,1-2,18-25H2,3-15H3/t26-,27-,28+,29+,30-,31+,32+,33-,36+,38+,39-,40+,41-,42-,44+,45+,46-,47+/m1/s1
    MOLECULAR FORMULA
    C47H79NO15
    CROSS REFERENCES
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    canSAR829076

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 897.54
    AlogP 4.82
    HBond donors 3
    HBond acceptors 16
    Atoms 142
    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 canSAR829076.