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canSAR828802
FEATURES
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NAMES
    SMILES
    O=C(CCC(=O)N(CCCCNC(=O)c1cccc(O)c1O)CCCNC(=O)c1cccc(O)c1O)NCCCC[C@H](NC(=O)c1cccc(O)c1O)C(=O)O
    InChI
    InChI=1S/C38H47N5O13/c44-27-13-5-9-23(32(27)49)35(52)40-19-3-4-21-43(22-8-20-41-36(53)24-10-6-14-28(45)33(24)50)31(48)17-16-30(47)39-18-2-1-12-26(38(55)56)42-37(54)25-11-7-15-29(46)34(25)51/h5-7,9-11,13-15,26,44-46,49-51H,1-4,8,12,16-22H2,(H,39,47)(H,40,52)(H,41,53)(H,42,54)(H,55,56)/t26-/m0/s1
    MOLECULAR FORMULA
    C38H47N5O13
    CROSS REFERENCES
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    canSAR828802

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 781.32
    AlogP 2.03
    HBond donors 11
    HBond acceptors 18
    Atoms 103
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR828802.