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canSAR845142
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NAMES
    SMILES
    COC(=O)[C@H](CCSC)N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2C1(C)C
    InChI
    InChI=1S/C21H27N3O3S/c1-21(2)23-12-16-14(13-7-5-6-8-15(13)22-16)11-18(23)19(25)24(21)17(9-10-28-4)20(26)27-3/h5-8,17-18,22H,9-12H2,1-4H3/t17-,18-/m0/s1
    MOLECULAR FORMULA
    C21H27N3O3S
    CROSS REFERENCES
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    canSAR845142

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.18
    AlogP 2.77
    HBond donors 1
    HBond acceptors 6
    Atoms 55
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR845142.