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canSAR1686701
FEATURES
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NAMES
    SMILES
    COc1ccc(Cn2c(C(=O)O)c(CNCCc3ccco3)c3ccc(C)cc32)cc1
    InChI
    InChI=1S/C25H26N2O4/c1-17-5-10-21-22(15-26-12-11-20-4-3-13-31-20)24(25(28)29)27(23(21)14-17)16-18-6-8-19(30-2)9-7-18/h3-10,13-14,26H,11-12,15-16H2,1-2H3,(H,28,29)
    MOLECULAR FORMULA
    C25H26N2O4
    CROSS REFERENCES
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    canSAR1686701

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.19
    AlogP 4.63
    HBond donors 2
    HBond acceptors 6
    Atoms 57
    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 canSAR1686701.