canSAR385151
FEATURES
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NAMES
    SMILES
    COCCOCCOC(=O)NC(C)C(=O)OCCN(CCOC(=O)C(C)NC(=O)OCCOCCOC)CC(=O)NC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O
    InChI
    InChI=1S/C50H69N5O23/c1-26(52-48(65)75-20-18-71-16-14-68-4)45(62)73-12-10-55(11-13-74-46(63)27(2)53-49(66)76-21-19-72-17-15-69-5)25-34(56)54-47(64)50(67)23-30-37(33(24-50)78-35-22-31(51)40(57)28(3)77-35)44(61)39-38(42(30)59)41(58)29-8-7-9-32(70-6)36(29)43(39)60/h7-9,26-28,31,33,35,40,57,59,61,67H,10-25,51H2,1-6H3,(H,52,65)(H,53,66)(H,54,56,64)/t26?,27?,28?,31?,33-,35?,40?,50-/m1/s1
    MOLECULAR FORMULA
    C50H69N5O23
    CROSS REFERENCES
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    canSAR385151
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1107.44
    AlogP-0.97
    HBond donors9
    HBond acceptors28
    Atoms147
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR385151.