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canSAR1122652
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)(OC)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C39H74N2O12/c1-16-28-39(10,46)32(43)25(6)41(13)20-21(2)18-38(9,48-15)34(53-36-30(42)27(40(11)12)17-22(3)49-36)23(4)31(24(5)35(45)51-28)52-29-19-37(8,47-14)33(44)26(7)50-29/h21-34,36,42-44,46H,16-20H2,1-15H3/t21-,22-,23+,24-,25-,26-,27-,28-,29+,30-,31+,32-,33+,34-,36+,37-,38-,39-/m1/s1
    MOLECULAR FORMULA
    C39H74N2O12
    CROSS REFERENCES
    1122652 logo

    canSAR1122652

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 762.52
    AlogP 2.55
    HBond donors 4
    HBond acceptors 14
    Atoms 127
    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 canSAR1122652.