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canSAR1984632
FEATURES
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NAMES
    SMILES
    Nc1nc(N=NCc2cccc3ccccc23)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C21H21N7O4/c22-18-15-19(28(10-23-15)20-17(31)16(30)14(9-29)32-20)26-21(25-18)27-24-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,10,14,16-17,20,29-31H,8-9H2,(H2,22,25,26)/t14-,16-,17-,20?/m1/s1
    MOLECULAR FORMULA
    C21H21N7O4
    CROSS REFERENCES
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    canSAR1984632

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.17
    AlogP 1.46
    HBond donors 5
    HBond acceptors 11
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1984632.