834641 logo
canSAR834641
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3c(C)noc3C)CCN2)c1
    InChI
    InChI=1S/C33H43F2N5O6S/c1-6-9-39(10-7-2)33(43)25-13-20(3)12-24(17-25)32(42)37-28(16-23-14-26(34)18-27(35)15-23)30(41)29-19-40(11-8-36-29)47(44,45)31-21(4)38-46-22(31)5/h12-15,17-18,28-30,36,41H,6-11,16,19H2,1-5H3,(H,37,42)/t28-,29+,30-/m0/s1
    MOLECULAR FORMULA
    C33H43F2N5O6S
    CROSS REFERENCES
    834641 logo

    canSAR834641

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 675.29
    AlogP 3.50
    HBond donors 3
    HBond acceptors 11
    Atoms 90
    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 canSAR834641.