461833 logo
canSAR461833
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(N)=O)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1OC2C3CC(C[C@]2(C)O1)C3(C)C
    InChI
    InChI=1S/C39H46BF3N6O6/c1-6-29(40-54-31-25-15-23(36(25,2)3)16-38(31,5)55-40)48-33(52)28-17-37(4,18-30(50)47-26-13-8-7-12-24(26)32(44)51)35-46-20-27(34(53)49(28)35)45-19-21-10-9-11-22(14-21)39(41,42)43/h7-14,20,23,25,28-29,31,45H,6,15-19H2,1-5H3,(H2,44,51)(H,47,50)(H,48,52)/t23?,25?,28-,29-,31?,37-,38-/m0/s1
    MOLECULAR FORMULA
    C39H46BF3N6O6
    CROSS REFERENCES
    461833 logo

    canSAR461833

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 762.35
    AlogP 5.37
    HBond donors 5
    HBond acceptors 12
    Atoms 101
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR461833.