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canSAR1594369
FEATURES
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NAMES
    SMILES
    COc1ccc2[nH]c(=O)c3cc(CC(C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)ccc3c2c1
    InChI
    InChI=1S/C24H24N4O3/c1-31-17-5-7-21-19(11-17)18-6-2-13(9-20(18)23(29)28-21)8-16(12-25)27-24(30)22-14-3-4-15(10-14)26-22/h2,5-7,9,11,14-16,22,26H,3-4,8,10H2,1H3,(H,27,30)(H,28,29)/t14-,15+,16?,22-/m0/s1
    MOLECULAR FORMULA
    C24H24N4O3
    CROSS REFERENCES
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    canSAR1594369

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.18
    AlogP 2.38
    HBond donors 3
    HBond acceptors 7
    Atoms 55
    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 canSAR1594369.