canSAR1533831
FEATURES
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NAMES
    SMILES
    COc1ccc(N2CCN(S(=O)(=O)c3ccc(-n4cnnn4)c(C)c3)CC2)cc1
    InChI
    InChI=1S/C19H22N6O3S/c1-15-13-18(7-8-19(15)25-14-20-21-22-25)29(26,27)24-11-9-23(10-12-24)16-3-5-17(28-2)6-4-16/h3-8,13-14H,9-12H2,1-2H3
    MOLECULAR FORMULA
    C19H22N6O3S
    CROSS REFERENCES
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    canSAR1533831
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight414.15
    AlogP1.49
    HBond donors0
    HBond acceptors9
    Atoms51
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1533831.