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canSAR1591855
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NAMES
    SMILES
    COC(=O)[C@H](Cc1c[nH]cn1)NCc1cc(N(C)C)cc(CN[C@@H](Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)C(=O)OC)n1
    InChI
    InChI=1S/C42H46N8O4/c1-49(2)37-20-34(25-44-38(40(51)53-3)22-33-24-43-28-46-33)48-35(21-37)26-45-39(41(52)54-4)23-36-27-50(29-47-36)42(30-14-8-5-9-15-30,31-16-10-6-11-17-31)32-18-12-7-13-19-32/h5-21,24,27-29,38-39,44-45H,22-23,25-26H2,1-4H3,(H,43,46)/t38-,39-/m0/s1
    MOLECULAR FORMULA
    C42H46N8O4
    CROSS REFERENCES
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    canSAR1591855

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 726.36
    AlogP 4.66
    HBond donors 3
    HBond acceptors 12
    Atoms 100
    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 canSAR1591855.