922354 logo
canSAR922354
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)OC[C@@H]1O[C@H](SC2=NNC(=O)C(C)N2/N=C\c2cn(-c3ccccc3)nc2CC(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
    InChI
    InChI=1S/C32H40N6O10S/c1-17(2)13-25-23(15-37(36-25)24-11-9-8-10-12-24)14-33-38-18(3)30(43)34-35-32(38)49-31-29(47-22(7)42)28(46-21(6)41)27(45-20(5)40)26(48-31)16-44-19(4)39/h8-12,14-15,17-18,26-29,31H,13,16H2,1-7H3,(H,34,43)/b33-14-/t18?,26-,27-,28+,29-,31+/m0/s1
    MOLECULAR FORMULA
    C32H40N6O10S
    CROSS REFERENCES
    922354 logo

    canSAR922354

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 700.25
    AlogP 2.31
    HBond donors 1
    HBond acceptors 16
    Atoms 89
    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 canSAR922354.