canSAR946304
FEATURES
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NAMES
    SMILES
    Cc1ccc(NC(=O)[C@@H]2C[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)CN2)cc1
    InChI
    InChI=1S/C33H43N5O6S/c1-22(2)20-38(45(42,43)28-15-11-25(34)12-16-28)21-31(39)29(17-24-7-5-4-6-8-24)37-33(41)44-27-18-30(35-19-27)32(40)36-26-13-9-23(3)10-14-26/h4-16,22,27,29-31,35,39H,17-21,34H2,1-3H3,(H,36,40)(H,37,41)/t27-,29+,30+,31-/m1/s1
    MOLECULAR FORMULA
    C33H43N5O6S
    CROSS REFERENCES
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    canSAR946304
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight637.29
    AlogP3.29
    HBond donors6
    HBond acceptors11
    Atoms88
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR946304.