canSAR1602411
FEATURES
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NAMES
    SMILES
    O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)N1CCOCC1
    InChI
    InChI=1S/C20H19N5O4S/c26-18(23-10-12-29-13-11-23)14-30-20-22-21-19(24(20)16-4-2-1-3-5-16)15-6-8-17(9-7-15)25(27)28/h1-9H,10-14H2
    MOLECULAR FORMULA
    C20H19N5O4S
    CROSS REFERENCES
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    canSAR1602411
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight425.12
    AlogP2.79
    HBond donors0
    HBond acceptors9
    Atoms49
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1602411.