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canSAR830939
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NAMES
    SMILES
    COC(=O)[C@@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)C
    InChI
    InChI=1S/C36H59NO5/c1-21(2)27(29(40)42-10)37-30(41)36-17-15-31(3,4)19-23(36)22-11-12-26-33(7)20-24(38)28(39)32(5,6)25(33)13-14-35(26,9)34(22,8)16-18-36/h11,21,23-28,38-39H,12-20H2,1-10H3,(H,37,41)/t23-,24+,25-,26+,27-,28-,33-,34+,35+,36-/m0/s1
    MOLECULAR FORMULA
    C36H59NO5
    CROSS REFERENCES
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    canSAR830939

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 585.44
    AlogP 6.43
    HBond donors 3
    HBond acceptors 6
    Atoms 101
    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 canSAR830939.