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canSAR1017719
FEATURES
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NAMES
    SMILES
    Cc1cn([C@H]2C[C@H](NC(=O)CC3CCC4(CC3)OOC3(OO4)C4CC5CC(C4)CC3C5)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C44H57N3O9Si/c1-28-26-47(41(50)46-40(28)49)39-25-36(37(52-39)27-51-57(42(2,3)4,34-11-7-5-8-12-34)35-13-9-6-10-14-35)45-38(48)24-29-15-17-43(18-16-29)53-55-44(56-54-43)32-20-30-19-31(22-32)23-33(44)21-30/h5-14,26,29-33,36-37,39H,15-25,27H2,1-4H3,(H,45,48)(H,46,49,50)/t29?,30?,31?,32?,33?,36-,37+,39+,43?,44?/m0/s1
    MOLECULAR FORMULA
    C44H57N3O9Si
    CROSS REFERENCES
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    canSAR1017719

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 799.39
    AlogP 5.53
    HBond donors 2
    HBond acceptors 12
    Atoms 114
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1017719.