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canSAR1444006
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NAMES
    SMILES
    CC(C)(O)c1ccc(-c2cnc3c(n2)N([C@H]2CC[C@@H](O)CC2)C(=O)CN3)cn1
    InChI
    InChI=1S/C20H25N5O3/c1-20(2,28)16-8-3-12(9-21-16)15-10-22-18-19(24-15)25(17(27)11-23-18)13-4-6-14(26)7-5-13/h3,8-10,13-14,26,28H,4-7,11H2,1-2H3,(H,22,23)/t13-,14+
    MOLECULAR FORMULA
    C20H25N5O3
    CROSS REFERENCES
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    canSAR1444006

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 383.20
    AlogP 1.83
    HBond donors 3
    HBond acceptors 8
    Atoms 53
    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 canSAR1444006.