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canSAR2207854
FEATURES
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NAMES
    SMILES
    COc1cc(C)cc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1
    InChI
    InChI=1S/C28H28F3N5O3/c1-15-11-19(13-21(12-15)39-3)26-35-24-22(36(26)14-17-7-9-20(10-8-17)28(29,30)31)23(33-25(34-24)27(37)38)32-16(2)18-5-4-6-18/h7-13,16,18H,4-6,14H2,1-3H3,(H,37,38)(H,32,33,34)/t16-/m1/s1
    MOLECULAR FORMULA
    C28H28F3N5O3
    CROSS REFERENCES
    2207854 logo

    canSAR2207854

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 539.21
    AlogP 6.18
    HBond donors 2
    HBond acceptors 8
    Atoms 67
    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 canSAR2207854.