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canSAR1862763
FEATURES
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NAMES
    SMILES
    COc1cccc(C(=O)Nc2ccc3c(cc2=O)[C@@H](NC(C)=O)CCc2cc(OC)c(OC)c(OC)c2-3)c1
    InChI
    InChI=1S/C29H30N2O7/c1-16(32)30-22-11-9-17-14-25(36-3)27(37-4)28(38-5)26(17)20-10-12-23(24(33)15-21(20)22)31-29(34)18-7-6-8-19(13-18)35-2/h6-8,10,12-15,22H,9,11H2,1-5H3,(H,30,32)(H,31,33,34)/t22-/m0/s1
    MOLECULAR FORMULA
    C29H30N2O7
    CROSS REFERENCES
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    canSAR1862763

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.21
    AlogP 4.12
    HBond donors 2
    HBond acceptors 9
    Atoms 68
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1862763.