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canSAR1522026
FEATURES
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NAMES
    SMILES
    CC(C)n1c(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc2ccccc21
    InChI
    InChI=1S/C20H23N5O4S/c1-15(2)24-19-9-4-3-8-18(19)21-20(24)22-10-12-23(13-11-22)30(28,29)17-7-5-6-16(14-17)25(26)27/h3-9,14-15H,10-13H2,1-2H3
    MOLECULAR FORMULA
    C20H23N5O4S
    CROSS REFERENCES
    1522026 logo

    canSAR1522026

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.15
    AlogP 3.04
    HBond donors 0
    HBond acceptors 9
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1522026.