1833853 logo
canSAR1833853
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)NC#N)ccc43)s2)c1
    InChI
    InChI=1S/C27H21F3N6O2S/c1-15-9-20(35-23(10-15)36-22-12-18(6-8-32-22)27(28,29)30)21-13-33-25(39-21)26(38)7-2-3-16-11-17(4-5-19(16)26)24(37)34-14-31/h4-6,8-13,38H,2-3,7H2,1H3,(H,34,37)(H,32,35,36)/t26-/m1/s1
    MOLECULAR FORMULA
    C27H21F3N6O2S
    CROSS REFERENCES
    1833853 logo

    canSAR1833853

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 550.14
    AlogP 5.45
    HBond donors 3
    HBond acceptors 8
    Atoms 60
    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 canSAR1833853.