834194 logo
canSAR834194
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCc2cccc(C(=O)NC)c2)[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C48H82N2O14/c1-16-35-48(12,57)40(52)28(6)38(59-24-32-18-17-19-33(21-32)43(54)49-13)26(4)22-46(10,56)42(64-45-37(51)34(20-27(5)60-45)50(14)25(2)3)29(7)39(30(8)44(55)62-35)63-36-23-47(11,58-15)41(53)31(9)61-36/h17-19,21,25-31,34-42,45,51-53,56-57H,16,20,22-24H2,1-15H3,(H,49,54)/t26-,27-,28+,29+,30-,31+,34+,35-,36+,37-,38+,39+,40-,41+,42-,45+,46-,47-,48-/m1/s1
    MOLECULAR FORMULA
    C48H82N2O14
    CROSS REFERENCES
    834194 logo

    canSAR834194

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 910.58
    AlogP 3.94
    HBond donors 6
    HBond acceptors 16
    Atoms 146
    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 canSAR834194.