canSAR820026
FEATURES
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NAMES
    SMILES
    CC[C@]12C=C(C(=O)OC)c3c(CC4Nc5cc(Cl)cc(Cl)c5C(Nc5cc(Cl)cc(Cl)c5)C4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2
    InChI
    InChI=1S/C54H54Cl4N6O6/c1-5-53-17-11-19-61(67)51(53)63-41-15-9-7-13-33(41)35(47(63)36(27-53)49(65)69-3)26-40-45(46(59-32-22-29(55)21-30(56)23-32)44-38(58)24-31(57)25-39(44)60-40)43-34-14-8-10-16-42(34)64-48(43)37(50(66)70-4)28-54(6-2)18-12-20-62(68)52(54)64/h7-10,13-16,21-25,27-28,40,45-46,51-52,59-60,67-68H,5-6,11-12,17-20,26H2,1-4H3/t40?,45?,46?,51-,52-,53+,54+/m1/s1
    MOLECULAR FORMULA
    C54H54Cl4N6O6
    CROSS REFERENCES
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    canSAR820026
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1022.29
    AlogP13.08
    HBond donors4
    HBond acceptors12
    Atoms124
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR820026.