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canSAR106600
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NAMES
    SMILES
    CSc1ccc(-c2ccccc2[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1
    InChI
    InChI=1S/C22H24N2OS/c1-26-17-12-10-16(11-13-17)18-6-2-3-7-19(18)20-8-4-5-9-21(20)22(25)24-15-14-23/h2-3,6-7,10-13,20-21H,4-5,8-9,15H2,1H3,(H,24,25)/t20-,21+/m0/s1
    MOLECULAR FORMULA
    C22H24N2OS
    CROSS REFERENCES
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    canSAR106600

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 364.16
    AlogP 4.99
    HBond donors 1
    HBond acceptors 3
    Atoms 50
    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 canSAR106600.