canSAR1746445
FEATURES
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NAMES
    SMILES
    Cc1cccc(-n2nnnc2SCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1
    InChI
    InChI=1S/C21H21N5O2S/c1-14-6-4-7-17(10-14)26-21(22-23-24-26)29-13-20(27)19-11-15(2)25(16(19)3)12-18-8-5-9-28-18/h4-11H,12-13H2,1-3H3
    MOLECULAR FORMULA
    C21H21N5O2S
    CROSS REFERENCES
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    canSAR1746445
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight407.14
    AlogP4.01
    HBond donors0
    HBond acceptors7
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746445.