499570 logo
canSAR499570
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)(C)C(=O)OCn1nnc(-c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O[C@@H]3CCC[C@H]3NC(=O)c3ccc(O)cc3)cc2O)n1
    InChI
    InChI=1S/C33H33N5O10/c1-33(2,3)32(46)47-16-38-36-29(35-37-38)20-6-4-8-22(40)26(20)28(43)27-23(41)14-18(15-24(27)42)31(45)48-25-9-5-7-21(25)34-30(44)17-10-12-19(39)13-11-17/h4,6,8,10-15,21,25,39-42H,5,7,9,16H2,1-3H3,(H,34,44)/t21-,25-/m1/s1
    MOLECULAR FORMULA
    C33H33N5O10
    CROSS REFERENCES
    499570 logo

    canSAR499570

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 659.22
    AlogP 3.45
    HBond donors 5
    HBond acceptors 15
    Atoms 81
    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 canSAR499570.