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canSAR654123
FEATURES
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NAMES
    SMILES
    CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC3CCN(C(=O)OCC)CC3)cc(-c3ccccc3)n2)CC1
    InChI
    InChI=1S/C35H47N5O9/c1-3-5-9-22-48-35(46)40-20-18-38(19-21-40)33(44)28(12-13-31(41)42)37-32(43)30-24-27(23-29(36-30)25-10-7-6-8-11-25)49-26-14-16-39(17-15-26)34(45)47-4-2/h6-8,10-11,23-24,26,28H,3-5,9,12-22H2,1-2H3,(H,37,43)(H,41,42)/t28-/m0/s1
    MOLECULAR FORMULA
    C35H47N5O9
    CROSS REFERENCES
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    canSAR654123

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 681.34
    AlogP 4.18
    HBond donors 2
    HBond acceptors 14
    Atoms 96
    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 canSAR654123.