112585 logo
canSAR112585
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCOCCN(C(=O)Cc1ccc(-c2ccccc2)cc1)C(C)(C)c1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1
    InChI
    InChI=1S/C37H39N3O4/c1-5-43-25-24-39(34(41)26-27-16-18-29(19-17-27)28-12-8-7-9-13-28)37(3,4)36-38-33-15-11-10-14-32(33)35(42)40(36)30-20-22-31(23-21-30)44-6-2/h7-23H,5-6,24-26H2,1-4H3
    MOLECULAR FORMULA
    C37H39N3O4
    CROSS REFERENCES
    112585 logo

    canSAR112585

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 589.29
    AlogP 6.79
    HBond donors 0
    HBond acceptors 7
    Atoms 83
    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 canSAR112585.