465089 logo
canSAR465089
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCC(=O)OCC(=O)C1=Cc2c(O)c3c(c(O)c2[C@@H](OC2CC(NC(=O)C(F)(F)C(F)(F)F)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O
    InChI
    InChI=1S/C35H34F5NO12/c1-4-5-9-22(43)51-13-19(42)15-10-17-25(32(48)27-26(30(17)46)29(45)16-7-6-8-20(50-3)24(16)31(27)47)21(11-15)53-23-12-18(28(44)14(2)52-23)41-33(49)34(36,37)35(38,39)40/h6-8,10,14,18,21,23,28,44,46,48H,4-5,9,11-13H2,1-3H3,(H,41,49)/t14?,18?,21-,23?,28?/m0/s1
    MOLECULAR FORMULA
    C35H34F5NO12
    CROSS REFERENCES
    465089 logo

    canSAR465089

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 755.20
    AlogP 4.21
    HBond donors 4
    HBond acceptors 13
    Atoms 87
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR465089.