canSAR826134
FEATURES
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NAMES
    SMILES
    COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCCCC(=O)N4C3)cc(-c3cscn3)nc2c1
    InChI
    InChI=1S/C34H39N5O7S2/c1-45-22-10-13-25-26(14-22)36-27(28-19-47-20-35-28)16-30(25)46-23-15-29-32(41)37-34(33(42)38-48(43,44)24-11-12-24)17-21(34)8-6-4-2-3-5-7-9-31(40)39(29)18-23/h6,8,10,13-14,16,19-21,23-24,29H,2-5,7,9,11-12,15,17-18H2,1H3,(H,37,41)(H,38,42)/b8-6-/t21-,23-,29+,34-/m1/s1
    MOLECULAR FORMULA
    C34H39N5O7S2
    CROSS REFERENCES
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    canSAR826134
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight693.23
    AlogP4.11
    HBond donors2
    HBond acceptors12
    Atoms87
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR826134.