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canSAR832230
FEATURES
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NAMES
    SMILES
    CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)N(C)OC)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)CCCC/C=C/1C
    InChI
    InChI=1S/C54H88N2O15/c1-32-18-14-13-15-19-33(2)44(65-9)30-40-23-21-38(7)54(64,71-40)50(60)51(61)56-25-17-16-20-41(56)52(62)69-45(31-42(57)34(3)27-37(6)48(59)49(67-11)47(58)36(5)26-32)35(4)28-39-22-24-43(46(29-39)66-10)70-53(63)55(8)68-12/h19,27,32,34-36,38-41,43-46,48-49,59,64H,13-18,20-26,28-31H2,1-12H3/b33-19+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,54-/m1/s1
    MOLECULAR FORMULA
    C54H88N2O15
    CROSS REFERENCES
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    canSAR832230

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1004.62
    AlogP 7.27
    HBond donors 2
    HBond acceptors 17
    Atoms 159
    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 canSAR832230.