canSAR1835612
FEATURES
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NAMES
    SMILES
    CCCn1c(C)cc(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])c1C
    InChI
    InChI=1S/C21H29N3O6S/c1-6-11-23-15(4)12-18(16(23)5)20(25)14-30-21-10-9-17(13-19(21)24(26)27)31(28,29)22(7-2)8-3/h9-10,12-13H,6-8,11,14H2,1-5H3
    MOLECULAR FORMULA
    C21H29N3O6S
    CROSS REFERENCES
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    canSAR1835612
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight451.18
    AlogP3.72
    HBond donors0
    HBond acceptors9
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1835612.