1013013 logo
canSAR1013013
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(N[C@H]1c2ccccc2OCC/C=C/COc2cccc3c2[C@H](OC(=O)c2ccccc2)[C@@H]2C[C@@H](CN2C3)OC(=O)[C@@H]1O)c1ccccc1
    InChI
    InChI=1S/C40H38N2O8/c43-36-35(41-38(44)26-13-4-1-5-14-26)30-18-8-9-19-32(30)47-21-10-3-11-22-48-33-20-12-17-28-24-42-25-29(49-40(36)46)23-31(42)37(34(28)33)50-39(45)27-15-6-2-7-16-27/h1-9,11-20,29,31,35-37,43H,10,21-25H2,(H,41,44)/b11-3+/t29-,31-,35-,36+,37+/m0/s1
    MOLECULAR FORMULA
    C40H38N2O8
    CROSS REFERENCES
    1013013 logo

    canSAR1013013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 674.26
    AlogP 5.33
    HBond donors 2
    HBond acceptors 10
    Atoms 88
    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 canSAR1013013.