canSAR1644722
FEATURES
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NAMES
    SMILES
    COc1ccc2oc3c(O)c4c(c(O)c3c(=O)c2c1O)-c1c(cc(CC(C)=O)c(C(=O)N[C@@](C)(CO)C(=O)O)c1O)CC4
    InChI
    InChI=1S/C30H27NO12/c1-11(33)8-13-9-12-4-5-14-19(17(12)24(36)18(13)28(39)31-30(2,10-32)29(40)41)25(37)21-26(38)20-15(43-27(21)22(14)34)6-7-16(42-3)23(20)35/h6-7,9,32,34-37H,4-5,8,10H2,1-3H3,(H,31,39)(H,40,41)/t30-/m0/s1
    MOLECULAR FORMULA
    C30H27NO12
    CROSS REFERENCES
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    canSAR1644722
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight593.15
    AlogP2.24
    HBond donors7
    HBond acceptors13
    Atoms70
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1644722.