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canSAR1150490
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NAMES
    SMILES
    COc1ccnc(NC(=S)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1
    InChI
    InChI=1S/C17H17ClF3N5OS/c1-27-12-2-3-22-14(9-12)24-16(28)26-6-4-25(5-7-26)15-13(18)8-11(10-23-15)17(19,20)21/h2-3,8-10H,4-7H2,1H3,(H,22,24,28)
    MOLECULAR FORMULA
    C17H17ClF3N5OS
    CROSS REFERENCES
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    canSAR1150490

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.08
    AlogP 3.68
    HBond donors 1
    HBond acceptors 6
    Atoms 45
    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 canSAR1150490.