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canSAR389875
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NAMES
    SMILES
    C[C@H](O)[C@@H](CCCc1ccccc1)n1cnc2c(N)ncnc21
    InChI
    InChI=1S/C17H21N5O/c1-12(23)14(9-5-8-13-6-3-2-4-7-13)22-11-21-15-16(18)19-10-20-17(15)22/h2-4,6-7,10-12,14,23H,5,8-9H2,1H3,(H2,18,19,20)/t12-,14+/m0/s1
    MOLECULAR FORMULA
    C17H21N5O
    CROSS REFERENCES
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    canSAR389875

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 311.17
    AlogP 2.35
    HBond donors 3
    HBond acceptors 6
    Atoms 44
    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 canSAR389875.