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canSAR829242
FEATURES
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NAMES
    SMILES
    COC(=O)CCC(C)[C@H]1CCC2C3C(C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CC[C@]2(C[C@H]1C[C@H]3OC(C)=O)OO[C@@]1(CC[C@]3(C)C4C[C@H](OC(C)=O)[C@@]5(C)C(CC[C@@H]5C(C)CCC(=O)OC)C4[C@H](OC(C)=O)C[C@@H]3C1)OO2
    InChI
    InChI=1S/C58H88O16/c1-31(13-19-49(63)65-11)39-15-17-41-51-43(27-47(55(39,41)9)69-35(5)61)53(7)21-23-57(29-37(53)25-45(51)67-33(3)59)71-73-58(74-72-57)24-22-54(8)38(30-58)26-46(68-34(4)60)52-42-18-16-40(32(2)14-20-50(64)66-12)56(42,10)48(28-44(52)54)70-36(6)62/h31-32,37-48,51-52H,13-30H2,1-12H3/t31?,32?,37-,38-,39-,40-,41?,42?,43?,44?,45-,46-,47+,48+,51?,52?,53+,54+,55-,56-,57-,58-/m1/s1
    MOLECULAR FORMULA
    C58H88O16
    CROSS REFERENCES
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    canSAR829242

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1040.61
    AlogP 9.95
    HBond donors 0
    HBond acceptors 16
    Atoms 162
    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 canSAR829242.