781597 logo
canSAR781597
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOC(=O)[C@H]1N[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)[C@@H]1[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1
    InChI
    InChI=1S/C30H36BrNO8/c1-5-35-27(33)21-20(23(28(34)36-6-2)32-22(21)18-12-14-19(31)15-13-18)24-25(37-16-17-10-8-7-9-11-17)26-29(38-24)40-30(3,4)39-26/h7-15,20-26,29,32H,5-6,16H2,1-4H3/t20-,21-,22-,23-,24-,25-,26+,29+/m0/s1
    MOLECULAR FORMULA
    C30H36BrNO8
    CROSS REFERENCES
    781597 logo

    canSAR781597

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 617.16
    AlogP 4.28
    HBond donors 1
    HBond acceptors 9
    Atoms 76
    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 canSAR781597.