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canSAR1591074
FEATURES
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NAMES
    SMILES
    C/C(=C\c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)s1)C(=O)N(CCCO)CCS(=O)(=O)O
    InChI
    InChI=1S/C21H25N3O7S2/c1-14(20(26)24(9-2-11-25)10-12-33(28,29)30)13-17-7-8-18(32-17)21(27)31-16-5-3-15(4-6-16)19(22)23/h3-8,13,25H,2,9-12H2,1H3,(H3,22,23)(H,28,29,30)/b14-13+
    MOLECULAR FORMULA
    C21H25N3O7S2
    CROSS REFERENCES
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    canSAR1591074

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 495.11
    AlogP 1.75
    HBond donors 5
    HBond acceptors 10
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1591074.