canSAR720247
FEATURES
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NAMES
    SMILES
    COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc3cnn(CC(=O)O)c(=O)c3c1O)CC2
    InChI
    InChI=1S/C28H20N2O10/c1-9-14(31)6-13-19(22(9)34)26(38)21-20(23(13)35)25(37)18-12(27(21)40-2)4-3-10-5-11-7-29-30(8-15(32)33)28(39)17(11)24(36)16(10)18/h5-7,31,34,36-37H,3-4,8H2,1-2H3,(H,32,33)
    MOLECULAR FORMULA
    C28H20N2O10
    CROSS REFERENCES
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    canSAR720247
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight544.11
    AlogP2.16
    HBond donors5
    HBond acceptors12
    Atoms60
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR720247.