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canSAR35408
FEATURES
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NAMES
    SMILES
    COCCOCCOC(=O)NCC(=O)OCCN(CCOC(=O)CNC(=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/C48H65N5O23/c1-26-40(57)29(49)20-35(75-26)76-31-22-48(65,21-28-37(31)44(61)39-38(42(28)59)41(58)27-6-5-7-30(68-4)36(27)43(39)60)45(62)52-32(54)25-53(8-10-71-33(55)23-50-46(63)73-18-16-69-14-12-66-2)9-11-72-34(56)24-51-47(64)74-19-17-70-15-13-67-3/h5-7,26,29,31,35,40,57,59,61,65H,8-25,49H2,1-4H3,(H,50,63)(H,51,64)(H,52,54,62)/t26?,29?,31-,35?,40?,48-/m1/s1
    MOLECULAR FORMULA
    C48H65N5O23
    CROSS REFERENCES
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    canSAR35408

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1079.41
    AlogP -1.75
    HBond donors 9
    HBond acceptors 28
    Atoms 141
    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 canSAR35408.