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canSAR829375
FEATURES
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NAMES
    SMILES
    N=C(N)c1ccc(C(=O)NCC(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2CC(N)=O)cc1
    InChI
    InChI=1S/C18H22N6O6/c19-13(25)7-12-18(30)23(9-15(27)28)5-6-24(12)14(26)8-22-17(29)11-3-1-10(2-4-11)16(20)21/h1-4,12H,5-9H2,(H2,19,25)(H3,20,21)(H,22,29)(H,27,28)/t12-/m0/s1
    MOLECULAR FORMULA
    C18H22N6O6
    CROSS REFERENCES
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    canSAR829375

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.16
    AlogP -2.30
    HBond donors 7
    HBond acceptors 12
    Atoms 52
    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 canSAR829375.