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canSAR396631
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NAMES
    SMILES
    Cc1cn2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2c(C#Cc2ccsc2)n1
    InChI
    InChI=1S/C21H21N3O2S/c1-14-9-23-12-18(21(25)24-10-15(2)26-16(3)11-24)8-20(23)19(22-14)5-4-17-6-7-27-13-17/h6-9,12-13,15-16H,10-11H2,1-3H3/t15-,16+
    MOLECULAR FORMULA
    C21H21N3O2S
    CROSS REFERENCES
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    canSAR396631

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 379.14
    AlogP 3.35
    HBond donors 0
    HBond acceptors 5
    Atoms 48
    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 canSAR396631.