782331 logo
canSAR782331
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)N1C[C@H]2N[C@H](CC(c3ccc(OCCOc4c(F)ccc(F)c4F)cc3)=C2C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)C1
    InChI
    InChI=1S/C34H32Cl2F3N3O4/c1-19(43)41-17-22-15-25(20-5-9-24(10-6-20)45-13-14-46-33-28(38)12-11-27(37)32(33)39)30(29(18-41)40-22)34(44)42(23-7-8-23)16-21-3-2-4-26(35)31(21)36/h2-6,9-12,22-23,29,40H,7-8,13-18H2,1H3/t22-,29-/m1/s1
    MOLECULAR FORMULA
    C34H32Cl2F3N3O4
    CROSS REFERENCES
    782331 logo

    canSAR782331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 673.17
    AlogP 6.41
    HBond donors 1
    HBond acceptors 7
    Atoms 78
    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 canSAR782331.