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canSAR1865109
FEATURES
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NAMES
    SMILES
    CCOc1ccccc1C(=O)NCC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
    InChI
    InChI=1S/C21H25N3O7S/c1-2-30-18-6-4-3-5-17(18)21(27)24-13-20(26)31-14-19(25)23-12-11-15-7-9-16(10-8-15)32(22,28)29/h3-10H,2,11-14H2,1H3,(H,23,25)(H,24,27)(H2,22,28,29)
    MOLECULAR FORMULA
    C21H25N3O7S
    CROSS REFERENCES
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    canSAR1865109

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 463.14
    AlogP 0.36
    HBond donors 4
    HBond acceptors 10
    Atoms 57
    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 canSAR1865109.