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canSAR1061655
FEATURES
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NAMES
    SMILES
    COC(OC)[C@]1(C)Oc2ccc([N+](=O)[O-])cc2[C@H](/N=C(\NC#N)NCc2ccccc2)[C@@H]1O
    InChI
    InChI=1S/C22H25N5O6/c1-22(20(31-2)32-3)19(28)18(16-11-15(27(29)30)9-10-17(16)33-22)26-21(25-13-23)24-12-14-7-5-4-6-8-14/h4-11,18-20,28H,12H2,1-3H3,(H2,24,25,26)/t18-,19-,22+/m0/s1
    MOLECULAR FORMULA
    C22H25N5O6
    CROSS REFERENCES
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    canSAR1061655

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.18
    AlogP 1.98
    HBond donors 3
    HBond acceptors 11
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1061655.