1113974 logo
canSAR1113974
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOC(=O)c1c(-c2cc3ccc(OCC=C(C)C)cc3oc2=O)nn(-c2cccc(Cl)c2)c1C(=O)OCC
    InChI
    InChI=1S/C29H27ClN2O7/c1-5-36-28(34)24-25(31-32(26(24)29(35)37-6-2)20-9-7-8-19(30)15-20)22-14-18-10-11-21(38-13-12-17(3)4)16-23(18)39-27(22)33/h7-12,14-16H,5-6,13H2,1-4H3
    MOLECULAR FORMULA
    C29H27ClN2O7
    CROSS REFERENCES
    1113974 logo

    canSAR1113974

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 550.15
    AlogP 6.00
    HBond donors 0
    HBond acceptors 9
    Atoms 66
    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 canSAR1113974.