canSAR1235958
FEATURES
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NAMES
    SMILES
    Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)CC1CN2
    InChI
    InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12?,13-/m1/s1
    MOLECULAR FORMULA
    C20H23N7O6
    CROSS REFERENCES
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    canSAR1235958
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight457.17
    AlogP-0.52
    HBond donors7
    HBond acceptors13
    Atoms56
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1235958.