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canSAR1968116
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NAMES
    SMILES
    Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2O)cn1
    InChI
    InChI=1S/C22H23N3O4/c1-14-17(21(25-29-14)15-6-3-2-4-7-15)13-28-20-11-10-16(12-23-20)22(27)24-18-8-5-9-19(18)26/h2-4,6-7,10-12,18-19,26H,5,8-9,13H2,1H3,(H,24,27)/t18-,19+/m1/s1
    MOLECULAR FORMULA
    C22H23N3O4
    CROSS REFERENCES
    1968116 logo

    canSAR1968116

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.17
    AlogP 3.27
    HBond donors 2
    HBond acceptors 7
    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 canSAR1968116.