canSAR2095773
FEATURES
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NAMES
    SMILES
    CC1(C)CC[C@]2(C(=O)NC3CCN(Cc4ccccc4)CC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn(S(=O)(=O)c7ccc(F)cc7)nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
    InChI
    InChI=1S/C49H65FN4O3S/c1-44(2)23-25-49(43(55)51-36-20-27-53(28-21-36)31-33-11-9-8-10-12-33)26-24-47(6)38(39(49)30-44)17-18-41-46(5)29-34-32-54(58(56,57)37-15-13-35(50)14-16-37)52-42(34)45(3,4)40(46)19-22-48(41,47)7/h8-17,32,36,39-41H,18-31H2,1-7H3,(H,51,55)/t39-,40-,41+,46-,47+,48+,49-/m0/s1
    MOLECULAR FORMULA
    C49H65FN4O3S
    CROSS REFERENCES
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    canSAR2095773
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight808.48
    AlogP9.86
    HBond donors1
    HBond acceptors7
    Atoms123
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095773.