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canSAR1093683
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NAMES
    SMILES
    COc1ccc([C@@H]2CN(C)C[C@H]2c2nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]2)cc1
    InChI
    InChI=1S/C23H23N5O2/c1-28-12-19(14-3-6-17(30-2)7-4-14)20(13-28)22-26-21-8-5-15(16-10-24-25-11-16)9-18(21)23(29)27-22/h3-11,19-20H,12-13H2,1-2H3,(H,24,25)(H,26,27,29)/t19-,20+/m0/s1
    MOLECULAR FORMULA
    C23H23N5O2
    CROSS REFERENCES
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    canSAR1093683

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.19
    AlogP 3.13
    HBond donors 2
    HBond acceptors 7
    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 canSAR1093683.