785399 logo
canSAR785399
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOCc3ccccc3C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4
    InChI
    InChI=1S/C25H33F3O5/c1-15-8-9-19-16(2)21(11-13-29-14-17-6-4-5-7-20(17)25(26,27)28)30-22-24(19)18(15)10-12-23(3,31-22)32-33-24/h4-7,15-16,18-19,21-22H,8-14H2,1-3H3/t15-,16-,18+,19+,21-,22-,23-,24-/m1/s1
    MOLECULAR FORMULA
    C25H33F3O5
    CROSS REFERENCES
    785399 logo

    canSAR785399

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.23
    AlogP 5.86
    HBond donors 0
    HBond acceptors 5
    Atoms 66
    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 canSAR785399.