1152084 logo
canSAR1152084
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@H]1C2C(C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@@H](CO)[C@@H](O[C@@H]7O[C@@H](COC(=O)Nc8ccccc8F)[C@@H](O)[C@H](O)[C@@H]7O)[C@H](O)[C@@H]6O)CC[C@]5(C)[C@H]4C(=O)C[C@]23C)O[C@]12CC[C@@H](C)CO2
    InChI
    InChI=1S/C46H66FNO15/c1-21-11-14-46(58-19-21)22(2)33-30(63-46)16-26-25-10-9-23-15-24(12-13-44(23,3)34(25)29(50)17-45(26,33)4)59-41-39(55)37(53)40(31(18-49)60-41)62-42-38(54)36(52)35(51)32(61-42)20-57-43(56)48-28-8-6-5-7-27(28)47/h5-8,21-26,30-42,49,51-55H,9-20H2,1-4H3,(H,48,56)/t21-,22+,23+,24+,25+,26+,30?,31+,32+,33?,34-,35-,36+,37-,38+,39+,40-,41-,42+,44+,45+,46-/m1/s1
    MOLECULAR FORMULA
    C46H66FNO15
    CROSS REFERENCES
    1152084 logo

    canSAR1152084

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 891.44
    AlogP 3.02
    HBond donors 7
    HBond acceptors 16
    Atoms 129
    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 canSAR1152084.