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canSAR501516
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NAMES
    SMILES
    Nc1nc(O)c2nc(CNc3ccc(C(=O)NC(Cc4c[nH]cn4)C(=O)O)cc3)cnc2n1
    InChI
    InChI=1S/C20H19N9O4/c21-20-28-16-15(18(31)29-20)26-13(8-24-16)7-23-11-3-1-10(2-4-11)17(30)27-14(19(32)33)5-12-6-22-9-25-12/h1-4,6,8-9,14,23H,5,7H2,(H,22,25)(H,27,30)(H,32,33)(H3,21,24,28,29,31)
    MOLECULAR FORMULA
    C20H19N9O4
    CROSS REFERENCES
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    canSAR501516

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.16
    AlogP 0.47
    HBond donors 7
    HBond acceptors 13
    Atoms 52
    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 canSAR501516.