canSAR857602
FEATURES
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NAMES
    SMILES
    C=C(C)[C@@H]1CC[C@]2(COC(=O)C(C)[n+]3ccc(N(C)C)cc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(C)[n+]6ccc(N(C)C)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
    InChI
    InChI=1S/C50H76N4O4/c1-33(2)38-16-25-50(32-57-44(55)34(3)53-28-19-36(20-29-53)51(10)11)27-26-48(8)39(43(38)50)14-15-41-47(7)23-18-42(46(5,6)40(47)17-24-49(41,48)9)58-45(56)35(4)54-30-21-37(22-31-54)52(12)13/h19-22,28-31,34-35,38-43H,1,14-18,23-27,32H2,2-13H3/q+2/t34?,35?,38-,39+,40-,41+,42-,43+,47-,48+,49+,50+/m0/s1
    MOLECULAR FORMULA
    C50H76N4O4+2
    CROSS REFERENCES
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    canSAR857602
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight796.59
    AlogP9.33
    HBond donors0
    HBond acceptors8
    Atoms134
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR857602.