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canSAR2004172
FEATURES
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NAMES
    SMILES
    COc1cc(C(=O)NCC2CCCO2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1
    InChI
    InChI=1S/C27H25F4N5O5/c1-36-13-14-5-3-7-20(22(14)25(36)38)41-24-17(27(29,30)31)12-33-26(35-24)34-19-10-18(28)16(9-21(19)39-2)23(37)32-11-15-6-4-8-40-15/h3,5,7,9-10,12,15H,4,6,8,11,13H2,1-2H3,(H,32,37)(H,33,34,35)
    MOLECULAR FORMULA
    C27H25F4N5O5
    CROSS REFERENCES
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    canSAR2004172

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 575.18
    AlogP 4.67
    HBond donors 2
    HBond acceptors 10
    Atoms 66
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2004172.