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canSAR1407033
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NAMES
    SMILES
    Cc1noc(C)c1-c1csc(N2CCC(C(N)=O)CC2)n1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C14H18N4O2S.C2HF3O2/c1-8-12(9(2)20-17-8)11-7-21-14(16-11)18-5-3-10(4-6-18)13(15)19;3-2(4,5)1(6)7/h7,10H,3-6H2,1-2H3,(H2,15,19);(H,6,7)
    MOLECULAR FORMULA
    C16H19F3N4O4S
    CROSS REFERENCES
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    canSAR1407033

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.11
    AlogP 2.75
    HBond donors 3
    HBond acceptors 8
    Atoms 47
    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 canSAR1407033.