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canSAR8449
FEATURES
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NAMES
    SMILES
    CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])c(OC)ccc3nc2-1
    InChI
    InChI=1S/C21H17N3O7/c1-3-21(27)13-7-15-17-10(8-23(15)19(25)12(13)9-31-20(21)26)6-11-14(22-17)4-5-16(30-2)18(11)24(28)29/h4-7,27H,3,8-9H2,1-2H3/t21-/m0/s1
    MOLECULAR FORMULA
    C21H17N3O7
    CROSS REFERENCES
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    canSAR8449

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.11
    AlogP 2.00
    HBond donors 1
    HBond acceptors 10
    Atoms 48
    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 canSAR8449.