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canSAR833685
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NAMES
    SMILES
    COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N4[C@@H](c5cc(OC)c(OC)c(OC)c5)c5[nH]c6ccccc6c5C[C@@H]4C(=O)N23)cc(OC)c1OC
    InChI
    InChI=1S/C42H40N4O8/c1-49-31-15-21(16-32(50-2)39(31)53-5)37-35-25(23-11-7-9-13-27(23)43-35)19-29-42(48)46-30(41(47)45(29)37)20-26-24-12-8-10-14-28(24)44-36(26)38(46)22-17-33(51-3)40(54-6)34(18-22)52-4/h7-18,29-30,37-38,43-44H,19-20H2,1-6H3/t29-,30-,37+,38+/m1/s1
    MOLECULAR FORMULA
    C42H40N4O8
    CROSS REFERENCES
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    canSAR833685

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 728.28
    AlogP 6.10
    HBond donors 2
    HBond acceptors 12
    Atoms 94
    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 canSAR833685.