2048600 logo
canSAR2048600
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CN1c2ccc(-c3cncc(F)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O
    InChI
    InChI=1S/C21H23FN4O3S/c1-25-18-3-2-14(10-15(18)13-30(25,28)29)16-11-23-12-17(22)19(16)26-8-5-21(6-9-26)4-7-24-20(21)27/h2-3,10-12H,4-9,13H2,1H3,(H,24,27)
    MOLECULAR FORMULA
    C21H23FN4O3S
    CROSS REFERENCES
    2048600 logo

    canSAR2048600

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.15
    AlogP 2.27
    HBond donors 1
    HBond acceptors 7
    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 canSAR2048600.