canSAR1830305
FEATURES
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NAMES
    SMILES
    O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O)NCc1cccc(C(F)(F)F)c1
    InChI
    InChI=1S/C41H45F3N4O5/c42-41(43,44)30-8-3-7-27(21-30)25-45-36(49)24-29-22-33(39(51)47-16-19-52-20-17-47)40(14-12-26-5-1-2-6-26)37-32(13-15-48(40)38(29)50)31-11-10-28(23-34(31)46-37)35-9-4-18-53-35/h3-4,7-11,18,21,23,26,29,33,46H,1-2,5-6,12-17,19-20,22,24-25H2,(H,45,49)/t29-,33-,40+/m1/s1
    MOLECULAR FORMULA
    C41H45F3N4O5
    CROSS REFERENCES
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    canSAR1830305
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight730.33
    AlogP7.20
    HBond donors2
    HBond acceptors9
    Atoms98
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1830305.