canSAR1503242
FEATURES
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NAMES
    SMILES
    COc1ccc(CNCCNC(=O)c2cccs2)cc1OC.O=C(O)C(=O)O
    InChI
    InChI=1S/C16H20N2O3S.C2H2O4/c1-20-13-6-5-12(10-14(13)21-2)11-17-7-8-18-16(19)15-4-3-9-22-15;3-1(4)2(5)6/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,18,19);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C18H22N2O7S
    CROSS REFERENCES
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    canSAR1503242
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight410.11
    AlogP1.44
    HBond donors4
    HBond acceptors9
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503242.