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canSAR829411
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NAMES
    SMILES
    C=C(C)[C@H](OC(=O)C(C)C)[C@H](C[C@@H](C)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](OC(=O)C(C)C)C[C@]13O2)OC(=O)C(C)C
    InChI
    InChI=1S/C42H66O8/c1-23(2)32(49-36(46)26(7)8)28(47-34(44)24(3)4)21-27(9)41-20-19-40(14)39(13)18-15-30-37(10,11)31(43)16-17-38(30,12)33(39)29(22-42(40,41)50-41)48-35(45)25(5)6/h24-30,32-33H,1,15-22H2,2-14H3/t27-,28+,29+,30+,32+,33+,38+,39+,40-,41-,42-/m1/s1
    MOLECULAR FORMULA
    C42H66O8
    CROSS REFERENCES
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    canSAR829411

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 698.48
    AlogP 8.43
    HBond donors 0
    HBond acceptors 8
    Atoms 116
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR829411.