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canSAR558777
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NAMES
    SMILES
    C=C[C@@]1(C)CC(=O)[C@]2(O)C3(C)C(C(O)C(OC(=O)CCCN4CCCCC4)[C@@]2(C)O1)C(C)(C)CC[C@@H]3O.Cl
    InChI
    InChI=1S/C29H47NO7.ClH/c1-7-26(4)18-20(32)29(35)27(5)19(31)13-14-25(2,3)23(27)22(34)24(28(29,6)37-26)36-21(33)12-11-17-30-15-9-8-10-16-30;/h7,19,22-24,31,34-35H,1,8-18H2,2-6H3;1H/t19-,22?,23?,24?,26-,27?,28+,29-;/m0./s1
    MOLECULAR FORMULA
    C29H48ClNO7
    CROSS REFERENCES
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    canSAR558777

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 557.31
    AlogP 3.19
    HBond donors 3
    HBond acceptors 8
    Atoms 86
    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 canSAR558777.