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canSAR1269527
FEATURES
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NAMES
    SMILES
    COc1c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)ccc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1C
    InChI
    InChI=1S/C41H45N5O7/c1-26-33(15-12-28(40(26)52-2)24-42-25-36(48)31-13-16-35(47)39-32(31)14-17-37(49)45-39)43-38(50)20-23-46-21-18-29(19-22-46)53-41(51)44-34-11-7-6-10-30(34)27-8-4-3-5-9-27/h3-17,29,36,42,47-48H,18-25H2,1-2H3,(H,43,50)(H,44,51)(H,45,49)/t36-/m0/s1
    MOLECULAR FORMULA
    C41H45N5O7
    CROSS REFERENCES
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    canSAR1269527

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 719.33
    AlogP 6.08
    HBond donors 6
    HBond acceptors 12
    Atoms 98
    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 canSAR1269527.