547442 logo
canSAR547442
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc(C=O)cc2)CC1.O=C(O)C(=O)O
    InChI
    InChI=1S/C25H31N3O3.C2H2O4/c1-31-24-7-3-2-6-23(24)28-18-16-27(17-19-28)15-5-4-14-26-25(30)13-12-21-8-10-22(20-29)11-9-21;3-1(4)2(5)6/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,26,30);(H,3,4)(H,5,6)/b13-12+;
    MOLECULAR FORMULA
    C27H33N3O7
    CROSS REFERENCES
    547442 logo

    canSAR547442

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 511.23
    AlogP 2.40
    HBond donors 3
    HBond acceptors 10
    Atoms 70
    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 canSAR547442.