464798 logo
canSAR464798
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@@H](S[C@H]1CO[C@H](c2ccc(C(=O)Nc3ccc(C#N)cc3F)cc2)OC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
    InChI
    InChI=1S/C30H26F3N5O4S/c1-18(30(40,15-38-17-35-16-36-38)24-8-7-22(31)11-25(24)32)43-23-13-41-29(42-14-23)21-5-3-20(4-6-21)28(39)37-27-9-2-19(12-34)10-26(27)33/h2-11,16-18,23,29,40H,13-15H2,1H3,(H,37,39)/t18-,23-,29-,30-/m1/s1
    MOLECULAR FORMULA
    C30H26F3N5O4S
    CROSS REFERENCES
    464798 logo

    canSAR464798

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 609.17
    AlogP 4.94
    HBond donors 2
    HBond acceptors 9
    Atoms 69
    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 canSAR464798.