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canSAR836717
FEATURES
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NAMES
    SMILES
    CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCC2CC2C(=O)O)[C@H]2O[C@H](/C=C/c3ccccc3)O[C@H]21
    InChI
    InChI=1S/C27H31N7O6/c1-2-29-27(37)33-23-20-24(31-13-30-23)34(14-32-20)25-22-21(18(38-25)12-28-11-16-10-17(16)26(35)36)39-19(40-22)9-8-15-6-4-3-5-7-15/h3-9,13-14,16-19,21-22,25,28H,2,10-12H2,1H3,(H,35,36)(H2,29,30,31,33,37)/b9-8+/t16?,17?,18-,19+,21-,22-,25-/m1/s1
    MOLECULAR FORMULA
    C27H31N7O6
    CROSS REFERENCES
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    canSAR836717

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 549.23
    AlogP 2.00
    HBond donors 4
    HBond acceptors 13
    Atoms 71
    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 canSAR836717.