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canSAR830033
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NAMES
    SMILES
    O=C(c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1)N1CCNCC1
    InChI
    InChI=1S/C18H16F3N5O2S/c19-18(20,21)28-12-3-1-11(2-4-12)25-15-13-9-14(29-16(13)24-10-23-15)17(27)26-7-5-22-6-8-26/h1-4,9-10,22H,5-8H2,(H,23,24,25)
    MOLECULAR FORMULA
    C18H16F3N5O2S
    CROSS REFERENCES
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    canSAR830033

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.10
    AlogP 3.38
    HBond donors 2
    HBond acceptors 7
    Atoms 45
    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 canSAR830033.