668416 logo
canSAR668416
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CO/N=C1\CCSC2=C1CN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)CC2
    InChI
    InChI=1S/C22H22FN3O4S/c1-30-24-17-5-7-31-20-4-6-25(10-14(17)20)19-9-18-13(8-16(19)23)21(27)15(22(28)29)11-26(18)12-2-3-12/h8-9,11-12H,2-7,10H2,1H3,(H,28,29)/b24-17+
    MOLECULAR FORMULA
    C22H22FN3O4S
    CROSS REFERENCES
    668416 logo

    canSAR668416

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 443.13
    AlogP 3.78
    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 canSAR668416.