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canSAR504315
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](CCC/N=C(\N)N[N+](=O)[O-])NC(=O)c1ccc(C(F)(F)F)cc1)C(N)=O
    InChI
    InChI=1S/C20H28F3N7O5/c1-11(2)10-15(16(24)31)28-18(33)14(4-3-9-26-19(25)29-30(34)35)27-17(32)12-5-7-13(8-6-12)20(21,22)23/h5-8,11,14-15H,3-4,9-10H2,1-2H3,(H2,24,31)(H,27,32)(H,28,33)(H3,25,26,29)/t14-,15-/m0/s1
    MOLECULAR FORMULA
    C20H28F3N7O5
    CROSS REFERENCES
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    canSAR504315

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 503.21
    AlogP 0.70
    HBond donors 7
    HBond acceptors 12
    Atoms 63
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR504315.