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canSAR1125495
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NAMES
    SMILES
    O=C1O[C@@H](Cn2ccnn2)[C@@H]2COc3cc(-c4ccc(-n5cc(CO)oc5=O)nc4)ccc3N12
    InChI
    InChI=1S/C22H18N6O6/c29-11-15-9-27(21(30)33-15)20-4-2-14(8-23-20)13-1-3-16-18(7-13)32-12-17-19(34-22(31)28(16)17)10-26-6-5-24-25-26/h1-9,17,19,29H,10-12H2/t17-,19-/m0/s1
    MOLECULAR FORMULA
    C22H18N6O6
    CROSS REFERENCES
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    canSAR1125495

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.13
    AlogP 1.36
    HBond donors 1
    HBond acceptors 12
    Atoms 52
    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 canSAR1125495.