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canSAR988260
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NAMES
    SMILES
    C[C@@H]1N[C@H](C(=O)NNC(=O)[C@@H](N)CCC(N)=O)Cc2c1[nH]c1ccccc21
    InChI
    InChI=1S/C18H24N6O3/c1-9-16-11(10-4-2-3-5-13(10)22-16)8-14(21-9)18(27)24-23-17(26)12(19)6-7-15(20)25/h2-5,9,12,14,21-22H,6-8,19H2,1H3,(H2,20,25)(H,23,26)(H,24,27)/t9-,12-,14-/m0/s1
    MOLECULAR FORMULA
    C18H24N6O3
    CROSS REFERENCES
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    canSAR988260

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 372.19
    AlogP -0.52
    HBond donors 8
    HBond acceptors 9
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR988260.