canSAR540222
FEATURES
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NAMES
    SMILES
    CC(C)OC(=O)CN(CCCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C27H32N4O4S.C2HF3O2/c1-19(2)35-26(32)18-31(23-9-5-8-22(17-23)27(28)29)16-6-7-20-12-14-21(15-13-20)24-10-3-4-11-25(24)36(30,33)34;3-2(4,5)1(6)7/h3-5,8-15,17,19H,6-7,16,18H2,1-2H3,(H3,28,29)(H2,30,33,34);(H,6,7)
    MOLECULAR FORMULA
    C29H33F3N4O6S
    CROSS REFERENCES
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    canSAR540222
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight622.21
    AlogP4.31
    HBond donors6
    HBond acceptors10
    Atoms76
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR540222.