782660 logo
canSAR782660
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)NC[C@@H]1CN(c2ccc(N3CCN(C(=O)CSCCCCCCSC[C@@H]4O[C@H](O[C@@H]5[C@@H](O)[C@H](N)C[C@H](N)[C@H]5O[C@H]5O[C@H](CN)[C@@H](O)[C@H](O)[C@H]5N)[C@@H](O)[C@H]4O[C@@H]4O[C@H](CN)[C@H](O)[C@@H](O)[C@@H]4N)CC3)c(F)c2)C(=O)O1
    InChI
    InChI=1S/C47H79FN10O16S2/c1-22(59)55-18-24-19-58(47(67)68-24)23-6-7-28(25(48)14-23)56-8-10-57(11-9-56)32(60)21-76-13-5-3-2-4-12-75-20-31-42(73-45-34(54)39(65)37(63)30(17-50)70-45)40(66)46(71-31)74-43-35(61)26(51)15-27(52)41(43)72-44-33(53)38(64)36(62)29(16-49)69-44/h6-7,14,24,26-27,29-31,33-46,61-66H,2-5,8-13,15-21,49-54H2,1H3,(H,55,59)/t24-,26-,27+,29-,30-,31+,33-,34+,35+,36-,37+,38-,39+,40+,41-,42+,43-,44-,45+,46-/m1/s1
    MOLECULAR FORMULA
    C47H79FN10O16S2
    CROSS REFERENCES
    782660 logo

    canSAR782660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1122.51
    AlogP -4.91
    HBond donors 19
    HBond acceptors 26
    Atoms 155
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR782660.