1141759 logo
canSAR1141759
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    BP(=O)(OC[C@H]1O[C@@H](n2cc(F)c(N)nc2=O)CS1)OP(=O)(O)C(F)(F)P(=O)(O)O
    InChI
    InChI=1S/C9H14BF3N3O10P3S/c10-29(23,26-28(21,22)9(12,13)27(18,19)20)24-2-6-25-5(3-30-6)16-1-4(11)7(14)15-8(16)17/h1,5-6H,2-3,10H2,(H,21,22)(H2,14,15,17)(H2,18,19,20)/t5-,6+,29?/m1/s1
    MOLECULAR FORMULA
    C9H14BF3N3O10P3S
    CROSS REFERENCES
    1141759 logo

    canSAR1141759

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 516.97
    AlogP 0.24
    HBond donors 5
    HBond acceptors 13
    Atoms 44
    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 canSAR1141759.