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canSAR549029
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NAMES
    SMILES
    COc1ccc2c(c1)CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc(Cl)c(Cl)c1.Cl
    InChI
    InChI=1S/C24H28Cl2N2O2.ClH/c1-27(23(29)14-16-5-9-20(25)21(26)13-16)24-19-8-7-18(30-2)15-17(19)6-10-22(24)28-11-3-4-12-28;/h5,7-9,13,15,22,24H,3-4,6,10-12,14H2,1-2H3;1H/t22-,24-;/m0./s1
    MOLECULAR FORMULA
    C24H29Cl3N2O2
    CROSS REFERENCES
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    canSAR549029

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.13
    AlogP 5.58
    HBond donors 0
    HBond acceptors 4
    Atoms 60
    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 canSAR549029.