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canSAR1146714
FEATURES
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NAMES
    SMILES
    Nc1nc(NC2Cc3ccccc3C2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C19H22N6O4/c20-16-13-17(25(8-21-13)18-15(28)14(27)12(7-26)29-18)24-19(23-16)22-11-5-9-3-1-2-4-10(9)6-11/h1-4,8,11-12,14-15,18,26-28H,5-7H2,(H3,20,22,23,24)/t12-,14-,15-,18-/m1/s1
    MOLECULAR FORMULA
    C19H22N6O4
    CROSS REFERENCES
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    canSAR1146714

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 398.17
    AlogP -0.40
    HBond donors 6
    HBond acceptors 10
    Atoms 51
    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 canSAR1146714.