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canSAR1015867
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NAMES
    SMILES
    COc1cc(/C=C/c2cc3c(c(SC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc(O)c1C/C=C(\C)CCC=C(C)C
    InChI
    InChI=1S/C36H48O4S/c1-23(2)10-9-11-24(3)12-15-28-29(37)19-26(20-30(28)39-7)14-13-25-18-27-22-32-35(4,5)33(38)16-17-36(32,6)40-34(27)31(21-25)41-8/h10,12-14,18-21,32-33,37-38H,9,11,15-17,22H2,1-8H3/b14-13+,24-12+/t32-,33-,36-/m1/s1
    MOLECULAR FORMULA
    C36H48O4S
    CROSS REFERENCES
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    canSAR1015867

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 576.33
    AlogP 9.02
    HBond donors 2
    HBond acceptors 4
    Atoms 89
    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 canSAR1015867.