158767 logo
canSAR158767
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]1O[C@H](c3ccc(I)cc3)O[C@]12C(=O)CO
    InChI
    InChI=1S/C27H31IO5/c1-26-11-10-20-19-9-7-18(30)12-16(19)4-8-21(20)22(26)13-24-27(26,23(31)14-29)33-25(32-24)15-2-5-17(28)6-3-15/h2-3,5-6,12,19-22,24-25,29H,4,7-11,13-14H2,1H3/t19-,20+,21+,22-,24+,25-,26-,27+/m0/s1
    MOLECULAR FORMULA
    C27H31IO5
    CROSS REFERENCES
    158767 logo

    canSAR158767

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 562.12
    AlogP 4.76
    HBond donors 1
    HBond acceptors 5
    Atoms 64
    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 canSAR158767.