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canSAR1961011
FEATURES
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NAMES
    SMILES
    CCN(CC)C(=O)COc1ccc(-c2nnc(Nc3ccc(OC)c(C(=O)NC)c3)c3ccccc23)cc1
    InChI
    InChI=1S/C29H31N5O4/c1-5-34(6-2)26(35)18-38-21-14-11-19(12-15-21)27-22-9-7-8-10-23(22)28(33-32-27)31-20-13-16-25(37-4)24(17-20)29(36)30-3/h7-17H,5-6,18H2,1-4H3,(H,30,36)(H,31,33)
    MOLECULAR FORMULA
    C29H31N5O4
    CROSS REFERENCES
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    canSAR1961011

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 513.24
    AlogP 4.66
    HBond donors 2
    HBond acceptors 9
    Atoms 69
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1961011.