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canSAR1064963
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NAMES
    SMILES
    COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)C1CC1C)CC2
    InChI
    InChI=1S/C25H29NO6/c1-13-10-16(13)25(28)26-18-8-6-14-11-21(30-3)23(31-4)24(32-5)22(14)15-7-9-20(29-2)19(27)12-17(15)18/h7,9,11-13,16,18H,6,8,10H2,1-5H3,(H,26,28)/t13?,16?,18-/m0/s1
    MOLECULAR FORMULA
    C25H29NO6
    CROSS REFERENCES
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    canSAR1064963

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.20
    AlogP 3.51
    HBond donors 1
    HBond acceptors 7
    Atoms 61
    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 canSAR1064963.