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canSAR1062391
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NAMES
    SMILES
    COC(=O)C[C@](NC(=O)NC1CCCC1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1
    InChI
    InChI=1S/C22H22ClF4N3O3/c1-33-19(31)11-21(18-7-6-15(23)12-28-18,30-20(32)29-17-4-2-3-5-17)13-8-14(22(25,26)27)10-16(24)9-13/h6-10,12,17H,2-5,11H2,1H3,(H2,29,30,32)/t21-/m0/s1
    MOLECULAR FORMULA
    C22H22ClF4N3O3
    CROSS REFERENCES
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    canSAR1062391

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 487.13
    AlogP 4.94
    HBond donors 2
    HBond acceptors 6
    Atoms 55
    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 canSAR1062391.