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canSAR655544
FEATURES
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NAMES
    SMILES
    CCCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OCCOC)cc(-c3ccccc3)n2)CC1
    InChI
    InChI=1S/C31H42N4O8/c1-3-4-5-9-18-43-31(40)35-16-14-34(15-17-35)30(39)25(12-13-28(36)37)33-29(38)27-22-24(42-20-19-41-2)21-26(32-27)23-10-7-6-8-11-23/h6-8,10-11,21-22,25H,3-5,9,12-20H2,1-2H3,(H,33,38)(H,36,37)/t25-/m0/s1
    MOLECULAR FORMULA
    C31H42N4O8
    CROSS REFERENCES
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    canSAR655544

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 598.30
    AlogP 3.60
    HBond donors 2
    HBond acceptors 12
    Atoms 85
    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 canSAR655544.