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canSAR779375
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(CCCNC(=O)NCc2ccccc2)[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C48H84N4O13/c1-14-36-48(10,59)40(54)32(6)52(22-18-21-49-45(57)50-26-34-19-16-15-17-20-34)27-28(2)24-46(8,58)42(65-44-38(53)35(51(11)12)23-29(3)61-44)30(4)39(31(5)43(56)63-36)64-37-25-47(9,60-13)41(55)33(7)62-37/h15-17,19-20,28-33,35-42,44,53-55,58-59H,14,18,21-27H2,1-13H3,(H2,49,50,57)/t28-,29-,30+,31-,32-,33+,35+,36-,37+,38-,39+,40-,41+,42-,44+,46-,47-,48-/m1/s1
    MOLECULAR FORMULA
    C48H84N4O13
    CROSS REFERENCES
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    canSAR779375

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 924.60
    AlogP 3.16
    HBond donors 7
    HBond acceptors 17
    Atoms 149
    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 canSAR779375.