canSAR423666
FEATURES
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NAMES
    SMILES
    CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CCNC(=O)c3cc(O)c(O)c(Br)c3)CSC12)c1csc(N)n1)C(=O)O
    InChI
    InChI=1S/C25H25BrN6O10S2/c1-25(2,23(40)41)42-31-14(12-8-44-24(27)29-12)19(36)30-15-20(37)32-16(22(38)39)9(7-43-21(15)32)3-4-28-18(35)10-5-11(26)17(34)13(33)6-10/h5-6,8,15,21,33-34H,3-4,7H2,1-2H3,(H2,27,29)(H,28,35)(H,30,36)(H,38,39)(H,40,41)/b31-14-/t15-,21?/m1/s1
    MOLECULAR FORMULA
    C25H25BrN6O10S2
    CROSS REFERENCES
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    canSAR423666
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight712.03
    AlogP1.04
    HBond donors8
    HBond acceptors16
    Atoms69
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR423666.