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canSAR159404
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NAMES
    SMILES
    Cc1cc(CNC(=O)Nc2cccc3[nH]ncc23)ccc1N1[C@H]2CCC[C@@H]1CC2
    InChI
    InChI=1S/C23H27N5O/c1-15-12-16(8-11-22(15)28-17-4-2-5-18(28)10-9-17)13-24-23(29)26-20-6-3-7-21-19(20)14-25-27-21/h3,6-8,11-12,14,17-18H,2,4-5,9-10,13H2,1H3,(H,25,27)(H2,24,26,29)/t17-,18+
    MOLECULAR FORMULA
    C23H27N5O
    CROSS REFERENCES
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    canSAR159404

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 389.22
    AlogP 4.71
    HBond donors 3
    HBond acceptors 6
    Atoms 56
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR159404.