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canSAR461808
FEATURES
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NAMES
    SMILES
    C[C@H]1c2ccc(-c3ccc([N+](=O)[O-])cc3)c(O)c2C(=O)C2=C(O)[C@]3(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)C3[C@@H](O)C21
    InChI
    InChI=1S/C28H27N3O10/c1-10-13-8-9-14(11-4-6-12(7-5-11)31(40)41)21(32)16(13)22(33)17-15(10)23(34)19-20(30(2)3)24(35)18(27(29)38)26(37)28(19,39)25(17)36/h4-10,15,19-20,23,32,34,36-37,39H,1-3H3,(H2,29,38)/t10-,15?,19?,20-,23-,28-/m0/s1
    MOLECULAR FORMULA
    C28H27N3O10
    CROSS REFERENCES
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    canSAR461808

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 565.17
    AlogP 1.23
    HBond donors 7
    HBond acceptors 13
    Atoms 68
    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 canSAR461808.