canSAR824357
FEATURES
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NAMES
    SMILES
    C#CCN(Cc1c(C)[nH]c2nc(N)nc(O)c12)c1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1
    InChI
    InChI=1S/C23H24N6O6/c1-3-10-29(11-15-12(2)25-19-18(15)21(33)28-23(24)27-19)14-6-4-13(5-7-14)20(32)26-16(22(34)35)8-9-17(30)31/h1,4-7,16H,8-11H2,2H3,(H,26,32)(H,30,31)(H,34,35)(H4,24,25,27,28,33)/t16-/m1/s1
    MOLECULAR FORMULA
    C23H24N6O6
    CROSS REFERENCES
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    canSAR824357
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight480.18
    AlogP1.24
    HBond donors7
    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 canSAR824357.