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canSAR1864355
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=O)CN3CCN(CCCN5CCNCC5)CC3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
    InChI
    InChI=1S/C34H45N5O8/c1-43-27-14-21(15-28(44-2)33(27)41)30-22-16-25-26(47-20-46-25)17-23(22)32(24-19-45-34(42)31(24)30)36-29(40)18-39-12-10-38(11-13-39)7-3-6-37-8-4-35-5-9-37/h14-17,24,30-32,35,41H,3-13,18-20H2,1-2H3,(H,36,40)/t24-,30+,31-,32+/m0/s1
    MOLECULAR FORMULA
    C34H45N5O8
    CROSS REFERENCES
    1864355 logo

    canSAR1864355

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 651.33
    AlogP 1.14
    HBond donors 3
    HBond acceptors 13
    Atoms 92
    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 canSAR1864355.