220519 logo
canSAR220519
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCC[C@@H]1NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2/C=C/CNC1=O
    InChI
    InChI=1S/C28H36N4O6/c1-2-6-22-26(35)30-14-5-8-20-7-3-4-9-25(20)38-16-15-29-23(17-19-10-12-21(34)13-11-19)27(36)32-24(18-33)28(37)31-22/h3-5,7-13,22-24,29,33-34H,2,6,14-18H2,1H3,(H,30,35)(H,31,37)(H,32,36)/b8-5+/t22-,23+,24+/m0/s1
    MOLECULAR FORMULA
    C28H36N4O6
    CROSS REFERENCES
    220519 logo

    canSAR220519

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 524.26
    AlogP 0.88
    HBond donors 6
    HBond acceptors 10
    Atoms 74
    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 canSAR220519.