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canSAR4620
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NAMES
    SMILES
    CCC[C@@H]1C[C@@]1(CCC)[C@@H](NC(=O)c1ccco1)c1ccc(C(Cl)(Cl)Cl)cc1
    InChI
    InChI=1S/C22H26Cl3NO2/c1-3-6-17-14-21(17,12-4-2)19(26-20(27)18-7-5-13-28-18)15-8-10-16(11-9-15)22(23,24)25/h5,7-11,13,17,19H,3-4,6,12,14H2,1-2H3,(H,26,27)/t17-,19+,21-/m1/s1
    MOLECULAR FORMULA
    C22H26Cl3NO2
    CROSS REFERENCES
    4620 logo

    canSAR4620

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.10
    AlogP 7.18
    HBond donors 1
    HBond acceptors 3
    Atoms 54
    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 canSAR4620.