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canSAR83690
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NAMES
    SMILES
    C=CCCC(=O)NC1C(O)OC(CO)C(SC2OC(C)C(O)C(O)C2O)C1O
    InChI
    InChI=1S/C17H29NO9S/c1-3-4-5-9(20)18-10-12(22)15(8(6-19)27-16(10)25)28-17-14(24)13(23)11(21)7(2)26-17/h3,7-8,10-17,19,21-25H,1,4-6H2,2H3,(H,18,20)
    MOLECULAR FORMULA
    C17H29NO9S
    CROSS REFERENCES
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    canSAR83690

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.16
    AlogP -2.56
    HBond donors 7
    HBond acceptors 10
    Atoms 57
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR83690.