canSAR281486
FEATURES
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NAMES
    SMILES
    O=C(c1ccc(CCC(COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CSC2=O)cc1)N1CCCC1
    InChI
    InChI=1S/C30H29N3O6S/c34-28-20-40-30(36)32(28)26(13-8-21-6-9-23(10-7-21)29(35)31-16-1-2-17-31)19-39-27-14-11-22(12-15-27)24-4-3-5-25(18-24)33(37)38/h3-7,9-12,14-15,18,26H,1-2,8,13,16-17,19-20H2
    MOLECULAR FORMULA
    C30H29N3O6S
    CROSS REFERENCES
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    canSAR281486
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight559.18
    AlogP5.57
    HBond donors0
    HBond acceptors9
    Atoms69
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR281486.