canSAR2171008
FEATURES
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NAMES
    SMILES
    Cc1ncc([N+](=O)[O-])n1CC(O)CSC(=S)N1CCC(Cc2ccccc2)CC1
    InChI
    InChI=1S/C20H26N4O3S2/c1-15-21-12-19(24(26)27)23(15)13-18(25)14-29-20(28)22-9-7-17(8-10-22)11-16-5-3-2-4-6-16/h2-6,12,17-18,25H,7-11,13-14H2,1H3
    MOLECULAR FORMULA
    C20H26N4O3S2
    CROSS REFERENCES
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    canSAR2171008
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight434.14
    AlogP3.43
    HBond donors1
    HBond acceptors7
    Atoms55
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2171008.