canSAR1503328
FEATURES
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NAMES
    SMILES
    COc1ccc(/N=C2/S/C(=C\c3cc(C)n(C)c3C)C(=O)N2CC(C)C)cc1
    InChI
    InChI=1S/C22H27N3O2S/c1-14(2)13-25-21(26)20(12-17-11-15(3)24(5)16(17)4)28-22(25)23-18-7-9-19(27-6)10-8-18/h7-12,14H,13H2,1-6H3/b20-12-,23-22+
    MOLECULAR FORMULA
    C22H27N3O2S
    CROSS REFERENCES
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    canSAR1503328
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight397.18
    AlogP4.91
    HBond donors0
    HBond acceptors5
    Atoms55
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503328.