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canSAR1066425
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NAMES
    SMILES
    CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(Cl)cc21
    InChI
    InChI=1S/C23H28ClN3O3/c1-15(28)27-19(10-16-6-3-2-4-7-16)21(29)14-25-20-12-23(8-5-9-23)30-22-18(20)11-17(24)13-26-22/h2-4,6-7,11,13,19-21,25,29H,5,8-10,12,14H2,1H3,(H,27,28)/t19-,20-,21+/m0/s1
    MOLECULAR FORMULA
    C23H28ClN3O3
    CROSS REFERENCES
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    canSAR1066425

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.18
    AlogP 3.18
    HBond donors 3
    HBond acceptors 6
    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 canSAR1066425.