831137 logo
canSAR831137
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)CCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(C)=O)c1
    InChI
    InChI=1S/C21H21FN4O3S/c1-13(27)24-17-12-15(8-10-23-17)20-19(14-4-6-16(22)7-5-14)25-21(30-3)26(20)11-9-18(28)29-2/h4-8,10,12H,9,11H2,1-3H3,(H,23,24,27)
    MOLECULAR FORMULA
    C21H21FN4O3S
    CROSS REFERENCES
    831137 logo

    canSAR831137

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.13
    AlogP 3.99
    HBond donors 1
    HBond acceptors 7
    Atoms 51
    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 canSAR831137.