163593 logo
canSAR163593
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cccc(COc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc2)c1
    InChI
    InChI=1S/C30H27NO4/c1-21-8-7-9-23(18-21)20-35-25-16-14-22(15-17-25)19-28(30(33)34)31-27-13-6-5-12-26(27)29(32)24-10-3-2-4-11-24/h2-18,28,31H,19-20H2,1H3,(H,33,34)/t28-/m0/s1
    MOLECULAR FORMULA
    C30H27NO4
    CROSS REFERENCES
    163593 logo

    canSAR163593

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 465.19
    AlogP 5.91
    HBond donors 2
    HBond acceptors 5
    Atoms 62
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR163593.