canSAR207986
FEATURES
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NAMES
    SMILES
    CSC(C)(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2c(Br)[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC1=O
    InChI
    InChI=1S/C32H43BrN6O7S/c1-16(2)13-20-27(42)35-21(14-18-17-9-6-7-10-19(17)34-26(18)33)28(43)37-22(15-24(40)41)31(46)39-12-8-11-23(39)29(44)38-25(30(45)36-20)32(3,4)47-5/h6-7,9-10,16,20-23,25,34H,8,11-15H2,1-5H3,(H,35,42)(H,36,45)(H,37,43)(H,38,44)(H,40,41)/t20-,21+,22-,23?,25-/m1/s1
    MOLECULAR FORMULA
    C32H43BrN6O7S
    CROSS REFERENCES
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    canSAR207986
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight734.21
    AlogP2.08
    HBond donors6
    HBond acceptors13
    Atoms90
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR207986.