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canSAR832971
FEATURES
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NAMES
    SMILES
    Cc1ncccc1OP(=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])Oc1ccccc1
    InChI
    InChI=1S/C22H23N6O7P/c1-14-12-28(22(30)25-21(14)29)20-11-17(26-27-23)19(33-20)13-32-36(31,34-16-7-4-3-5-8-16)35-18-9-6-10-24-15(18)2/h3-10,12,17,19-20H,11,13H2,1-2H3,(H,25,29,30)/t17-,19+,20+,36?/m0/s1
    MOLECULAR FORMULA
    C22H23N6O7P
    CROSS REFERENCES
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    canSAR832971

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 514.14
    AlogP 3.80
    HBond donors 1
    HBond acceptors 13
    Atoms 59
    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 canSAR832971.