1976811 logo
canSAR1976811
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(C1CCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1
    InChI
    InChI=1S/C28H30N2O3/c31-19-25-27(22-15-13-21(14-16-22)10-6-9-20-7-2-1-3-8-20)24-17-29(18-26(32)30(24)25)28(33)23-11-4-5-12-23/h1-3,7-8,13-16,23-25,27,31H,4-5,9,11-12,17-19H2/t24-,25-,27+/m0/s1
    MOLECULAR FORMULA
    C28H30N2O3
    CROSS REFERENCES
    1976811 logo

    canSAR1976811

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.23
    AlogP 2.97
    HBond donors 1
    HBond acceptors 5
    Atoms 63
    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 canSAR1976811.