canSAR2080042
FEATURES
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NAMES
    SMILES
    CCc1c(CNC(=O)C2=C[C@H](O)[C@H](O)[C@@H](O)C2)c(CC)c(CNC(=O)C2=C[C@H](O)[C@H](O)[C@@H](O)C2)c(CC)c1CNC(=O)C1=C[C@H](O)[C@H](O)[C@@H](O)C1
    InChI
    InChI=1S/C36H51N3O12/c1-4-19-22(13-37-34(49)16-7-25(40)31(46)26(41)8-16)20(5-2)24(15-39-36(51)18-11-29(44)33(48)30(45)12-18)21(6-3)23(19)14-38-35(50)17-9-27(42)32(47)28(43)10-17/h7,9,11,25-33,40-48H,4-6,8,10,12-15H2,1-3H3,(H,37,49)(H,38,50)(H,39,51)/t25-,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
    MOLECULAR FORMULA
    C36H51N3O12
    CROSS REFERENCES
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    canSAR2080042
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight717.35
    AlogP-2.54
    HBond donors12
    HBond acceptors15
    Atoms102
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080042.