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canSAR65848
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NAMES
    SMILES
    O=C(Nc1ccccc1)c1c(-c2nnc(C3(C(F)(F)F)CC3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1
    InChI
    InChI=1S/C28H17BrCl2F3N5O2/c29-16-8-6-15(7-9-16)23-21(24(40)35-18-4-2-1-3-5-18)22(38-39(23)20-11-10-17(30)14-19(20)31)25-36-37-26(41-25)27(12-13-27)28(32,33)34/h1-11,14H,12-13H2,(H,35,40)
    MOLECULAR FORMULA
    C28H17BrCl2F3N5O2
    CROSS REFERENCES
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    canSAR65848

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 660.99
    AlogP 8.50
    HBond donors 1
    HBond acceptors 7
    Atoms 58
    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 canSAR65848.