830769 logo
canSAR830769
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](OC(=O)Cc2ccncc2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C37H60N2O11/c1-12-27-37(8,45)32(43)22(4)29(41)20(2)19-36(7,46-11)33(50-35-30(42)26(39(9)10)17-21(3)47-35)23(5)31(24(6)34(44)48-27)49-28(40)18-25-13-15-38-16-14-25/h13-16,20-24,26-27,30-33,35,42-43,45H,12,17-19H2,1-11H3/t20-,21-,22+,23+,24-,26+,27-,30-,31+,32-,33-,35?,36+,37-/m1/s1
    MOLECULAR FORMULA
    C37H60N2O11
    CROSS REFERENCES
    830769 logo

    canSAR830769

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 708.42
    AlogP 2.70
    HBond donors 3
    HBond acceptors 13
    Atoms 110
    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 canSAR830769.