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canSAR829226
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NAMES
    SMILES
    C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)C3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)NC(C)(C)C
    InChI
    InChI=1S/C49H64N2O5/c1-14-16-27(43(55)50-44(4,5)6)17-15-21-47(11)33-19-18-28-23-31-30-24-29-32-25-45(7,8)56-46(9,10)37(32)40(53)35(29)36-39(30)51(38(26(2)3)41(36)54)42(31)49(28,13)48(33,12)22-20-34(47)52/h14-15,17,21,24-25,28,33-34,37-38,40,52-53H,1-2,16,18-20,22-23H2,3-13H3,(H,50,55)/b21-15+,27-17+/t28?,33-,34-,37?,38-,40+,47-,48-,49+/m0/s1
    MOLECULAR FORMULA
    C49H64N2O5
    CROSS REFERENCES
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    canSAR829226

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 760.48
    AlogP 9.57
    HBond donors 3
    HBond acceptors 7
    Atoms 120
    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 canSAR829226.