canSAR423829
FEATURES
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NAMES
    SMILES
    COc1ncccc1C(=O)N1CC[C@H](NCc2cncn2Cc2ccc(C#N)cc2)C1=O
    InChI
    InChI=1S/C23H22N6O3/c1-32-21-19(3-2-9-26-21)22(30)29-10-8-20(23(29)31)27-13-18-12-25-15-28(18)14-17-6-4-16(11-24)5-7-17/h2-7,9,12,15,20,27H,8,10,13-14H2,1H3/t20-/m0/s1
    MOLECULAR FORMULA
    C23H22N6O3
    CROSS REFERENCES
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    canSAR423829
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight430.18
    AlogP1.74
    HBond donors1
    HBond acceptors9
    Atoms54
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR423829.