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canSAR1101076
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NAMES
    SMILES
    O=S(=O)(Nc1cscn1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2-c2ccnn2C2CNC2)cc1F
    InChI
    InChI=1S/C22H16F5N5O3S2/c23-15-7-20(37(33,34)31-21-10-36-11-29-21)16(24)6-19(15)35-18-2-1-12(22(25,26)27)5-14(18)17-3-4-30-32(17)13-8-28-9-13/h1-7,10-11,13,28,31H,8-9H2
    MOLECULAR FORMULA
    C22H16F5N5O3S2
    CROSS REFERENCES
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    canSAR1101076

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 557.06
    AlogP 5.04
    HBond donors 2
    HBond acceptors 8
    Atoms 53
    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 canSAR1101076.