canSAR544920
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)C(=O)Nc1cnccn1)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F
    InChI
    InChI=1S/C22H21F4N5O7/c1-9(2)18(31-22(37)21(36)30-14-7-27-3-4-28-14)20(35)29-12(6-15(33)34)13(32)8-38-19-16(25)10(23)5-11(24)17(19)26/h3-5,7,9,12,18H,6,8H2,1-2H3,(H,29,35)(H,31,37)(H,33,34)(H,28,30,36)/t12-,18-/m0/s1
    MOLECULAR FORMULA
    C22H21F4N5O7
    CROSS REFERENCES
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    canSAR544920
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight543.14
    AlogP0.72
    HBond donors4
    HBond acceptors12
    Atoms59
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR544920.