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canSAR1123122
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NAMES
    SMILES
    CCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2cc(-c4ccc(CN(C)C)cc4)ccc23)cc1
    InChI
    InChI=1S/C32H35N5O4/c1-5-33-19-28(38)34-25-13-10-23(11-14-25)29-31-30(37(16-17-40-4)32(39)35-29)26-15-12-24(18-27(26)41-31)22-8-6-21(7-9-22)20-36(2)3/h6-15,18,33H,5,16-17,19-20H2,1-4H3,(H,34,38)
    MOLECULAR FORMULA
    C32H35N5O4
    CROSS REFERENCES
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    canSAR1123122

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 553.27
    AlogP 4.73
    HBond donors 2
    HBond acceptors 9
    Atoms 76
    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 canSAR1123122.