canSAR2080198
FEATURES
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NAMES
    SMILES
    Cc1cc(C[C@@H](NC(=O)N2CCN(c3ccc(F)cc3S(C)(=O)=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
    InChI
    InChI=1S/C33H44FN7O4S/c1-23-18-24(19-25-22-35-37-31(23)25)20-28(32(42)40-12-8-27(9-13-40)38-10-4-3-5-11-38)36-33(43)41-16-14-39(15-17-41)29-7-6-26(34)21-30(29)46(2,44)45/h6-7,18-19,21-22,27-28H,3-5,8-17,20H2,1-2H3,(H,35,37)(H,36,43)/t28-/m1/s1
    MOLECULAR FORMULA
    C33H44FN7O4S
    CROSS REFERENCES
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    canSAR2080198
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight653.32
    AlogP3.33
    HBond donors2
    HBond acceptors11
    Atoms90
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080198.