564806 logo
canSAR564806
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)O.CCCNCCc1c2c(nc3cc4c(cc13)OCCO4)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC
    InChI
    InChI=1S/C27H29N3O6.C2H4O2/c1-3-6-28-7-5-15-16-10-22-23(35-9-8-34-22)12-20(16)29-24-17(15)13-30-21(24)11-19-18(25(30)31)14-36-26(32)27(19,33)4-2;1-2(3)4/h10-12,28,33H,3-9,13-14H2,1-2H3;1H3,(H,3,4)
    MOLECULAR FORMULA
    C29H33N3O8
    CROSS REFERENCES
    564806 logo

    canSAR564806

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.23
    AlogP 2.48
    HBond donors 3
    HBond acceptors 11
    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 canSAR564806.