1861973 logo
canSAR1861973
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)O[C@H]1[C@H](C)O[C@@H](n2cc(COC[C@H]3C(=O)OC4c5cc(C)cc(O)c5C5=C(C(=O)c6c(O[C@H]7C[C@@H](O)[C@@H](O)[C@H](C)O7)cccc6C5=O)N43)nn2)[C@H](OC(C)=O)[C@@H]1OC(C)=O
    InChI
    InChI=1S/C42H44N4O17/c1-16-10-24-30(26(50)11-16)32-33(36(54)31-23(35(32)53)8-7-9-28(31)62-29-12-27(51)34(52)17(2)57-29)46-25(42(55)63-40(24)46)15-56-14-22-13-45(44-43-22)41-39(61-21(6)49)38(60-20(5)48)37(18(3)58-41)59-19(4)47/h7-11,13,17-18,25,27,29,34,37-41,50-52H,12,14-15H2,1-6H3/t17-,18-,25-,27+,29-,34-,37-,38+,39+,40?,41+/m0/s1
    MOLECULAR FORMULA
    C42H44N4O17
    CROSS REFERENCES
    1861973 logo

    canSAR1861973

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 876.27
    AlogP 1.49
    HBond donors 3
    HBond acceptors 21
    Atoms 107
    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 canSAR1861973.