canSAR2095844
FEATURES
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NAMES
    SMILES
    CC(C)C(=O)O[C@@H]1[C@@H](CNS(=O)(=O)NC(=O)c2ccccc2O)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1F.CCN(CC)CC
    InChI
    InChI=1S/C21H24FN7O7S.C6H15N/c1-10(2)21(32)36-16-13(7-27-37(33,34)28-19(31)11-5-3-4-6-12(11)30)35-20(14(16)22)29-9-26-15-17(23)24-8-25-18(15)29;1-4-7(5-2)6-3/h3-6,8-10,13-14,16,20,27,30H,7H2,1-2H3,(H,28,31)(H2,23,24,25);4-6H2,1-3H3/t13-,14-,16-,20-;/m1./s1
    MOLECULAR FORMULA
    C27H39FN8O7S
    CROSS REFERENCES
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    canSAR2095844
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight638.26
    AlogP1.53
    HBond donors5
    HBond acceptors15
    Atoms83
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095844.