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canSAR1130200
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NAMES
    SMILES
    N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1=O
    InChI
    InChI=1S/C44H30Cl2N2O8/c45-32-20-16-27(17-21-32)34-24-36(28-18-22-33(46)23-19-28)48(40(49)35(34)25-47)41-39(56-44(52)31-14-8-3-9-15-31)38(55-43(51)30-12-6-2-7-13-30)37(54-41)26-53-42(50)29-10-4-1-5-11-29/h1-24,37-39,41H,26H2/t37-,38-,39-,41-/m1/s1
    MOLECULAR FORMULA
    C44H30Cl2N2O8
    CROSS REFERENCES
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    canSAR1130200

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 784.14
    AlogP 8.57
    HBond donors 0
    HBond acceptors 10
    Atoms 86
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1130200.