1015880 logo
canSAR1015880
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=CCO[C@H]1[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)/C(=N\O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C
    InChI
    InChI=1S/C33H60N2O10/c1-13-15-42-27-21(6)29(45-31-26(36)23(35(10)11)16-19(4)43-31)32(8,41-12)17-18(3)25(34-40)20(5)28(37)33(9,39)24(14-2)44-30(38)22(27)7/h13,18-24,26-29,31,36-37,39-40H,1,14-17H2,2-12H3/b34-25+/t18-,19-,20+,21+,22-,23+,24-,26-,27+,28-,29-,31+,32-,33-/m1/s1
    MOLECULAR FORMULA
    C33H60N2O10
    CROSS REFERENCES
    1015880 logo

    canSAR1015880

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 644.42
    AlogP 2.99
    HBond donors 4
    HBond acceptors 12
    Atoms 105
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1015880.