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canSAR162134
FEATURES
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NAMES
    SMILES
    COc1ccc([C@@H]2C[C@]3(C[C@H](c4ccc(OC)cc4)N2)N=C2C(=C4NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@]5(C)Oc6c(C)c(O)c(c2c6C5=O)C4=O)N3)cc1
    InChI
    InChI=1S/C56H66N4O13/c1-27-13-12-14-28(2)54(67)58-46-45-44(59-56(60-45)25-38(34-15-19-36(68-9)20-16-34)57-39(26-56)35-17-21-37(69-10)22-18-35)41-42(50(46)65)49(64)32(6)52-43(41)53(66)55(8,73-52)71-24-23-40(70-11)29(3)51(72-33(7)61)31(5)48(63)30(4)47(27)62/h12-24,27,29-31,38-40,47-48,51,57,60,62-64H,25-26H2,1-11H3,(H,58,67)/b13-12+,24-23+,28-14-/t27-,29+,30+,31-,38-,39+,40-,47-,48-,51+,55-,56-/m0/s1
    MOLECULAR FORMULA
    C56H66N4O13
    CROSS REFERENCES
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    canSAR162134

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1002.46
    AlogP 6.75
    HBond donors 6
    HBond acceptors 17
    Atoms 139
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR162134.