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canSAR2088413
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NAMES
    SMILES
    CNc1nccc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)n1
    InChI
    InChI=1S/C22H22N4O3/c1-13-3-4-15-11-14(18-9-10-24-22(23-2)25-18)5-8-19(15)26(13)21(29)17-7-6-16(27)12-20(17)28/h5-13,27-28H,3-4H2,1-2H3,(H,23,24,25)/t13-/m0/s1
    MOLECULAR FORMULA
    C22H22N4O3
    CROSS REFERENCES
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    canSAR2088413

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 390.17
    AlogP 3.58
    HBond donors 3
    HBond acceptors 7
    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 canSAR2088413.