1117533 logo
canSAR1117533
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCN(CCCC)CCOc1ccc(-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)cc1
    InChI
    InChI=1S/C37H44N6O3/c1-3-5-22-43(23-6-4-2)24-25-45-32-18-14-29(15-19-32)34-26-33-35(39-27-40-36(33)46-34)38-21-20-28-12-16-31(17-13-28)42-37(44)41-30-10-8-7-9-11-30/h7-19,26-27H,3-6,20-25H2,1-2H3,(H,38,39,40)(H2,41,42,44)
    MOLECULAR FORMULA
    C37H44N6O3
    CROSS REFERENCES
    1117533 logo

    canSAR1117533

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 620.35
    AlogP 8.47
    HBond donors 3
    HBond acceptors 9
    Atoms 90
    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 canSAR1117533.