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canSAR990228
FEATURES
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NAMES
    SMILES
    C[C@@H]1N[C@H](C(=O)NNC(=O)[C@@H](N)[C@@H](C)O)Cc2c1[nH]c1ccccc21
    InChI
    InChI=1S/C17H23N5O3/c1-8-15-11(10-5-3-4-6-12(10)20-15)7-13(19-8)16(24)21-22-17(25)14(18)9(2)23/h3-6,8-9,13-14,19-20,23H,7,18H2,1-2H3,(H,21,24)(H,22,25)/t8-,9+,13-,14-/m0/s1
    MOLECULAR FORMULA
    C17H23N5O3
    CROSS REFERENCES
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    canSAR990228

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 345.18
    AlogP -0.40
    HBond donors 7
    HBond acceptors 8
    Atoms 48
    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 canSAR990228.