502609 logo
canSAR502609
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCCC(O)C#Cc1cn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C32H32N2O7/c1-2-3-6-15-26(35)17-16-25-20-34(32(38)33-30(25)36)19-18-27-28(39-21-23-11-7-4-8-12-23)29(31(37)41-27)40-22-24-13-9-5-10-14-24/h4-5,7-14,18,20,26,35H,2-3,6,15,19,21-22H2,1H3,(H,33,36,38)/b27-18-
    MOLECULAR FORMULA
    C32H32N2O7
    CROSS REFERENCES
    502609 logo

    canSAR502609

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 556.22
    AlogP 3.92
    HBond donors 2
    HBond acceptors 9
    Atoms 73
    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 canSAR502609.