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canSAR463459
FEATURES
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NAMES
    SMILES
    CN(Cc1ccc(C(=O)NC(=O)[C@H](N)CCC(=O)O)cc1)c1cnc2nc(N)nc(N)c2c1
    InChI
    InChI=1S/C21H24N8O4/c1-29(13-8-14-17(23)26-21(24)27-18(14)25-9-13)10-11-2-4-12(5-3-11)19(32)28-20(33)15(22)6-7-16(30)31/h2-5,8-9,15H,6-7,10,22H2,1H3,(H,30,31)(H,28,32,33)(H4,23,24,25,26,27)/t15-/m1/s1
    MOLECULAR FORMULA
    C21H24N8O4
    CROSS REFERENCES
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    canSAR463459

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.19
    AlogP 0.27
    HBond donors 8
    HBond acceptors 12
    Atoms 57
    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 canSAR463459.