22052 logo
canSAR22052
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)cc3)cc2F)OC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
    InChI
    InChI=1S/C30H26F3N5O4S/c1-18(30(40,15-38-17-35-16-36-38)25-9-5-21(31)11-27(25)33)43-23-13-41-29(42-14-23)24-8-4-20(10-26(24)32)28(39)37-22-6-2-19(12-34)3-7-22/h2-11,16-18,23,29,40H,13-15H2,1H3,(H,37,39)/t18-,23-,29-,30-/m1/s1
    MOLECULAR FORMULA
    C30H26F3N5O4S
    CROSS REFERENCES
    22052 logo

    canSAR22052

    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 canSAR22052.