779596 logo
canSAR779596
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1c(O)ccc2c1-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
    InChI
    InChI=1S/C19H21NO4.C6H3N3O7/c1-20-7-6-11-9-14(22)19(24-3)17-15(11)12(20)8-10-4-5-13(21)18(23-2)16(10)17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-5,9,12,21-22H,6-8H2,1-3H3;1-2,10H/t12-;/m0./s1
    MOLECULAR FORMULA
    C25H24N4O11
    CROSS REFERENCES
    779596 logo

    canSAR779596

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 556.14
    AlogP 3.98
    HBond donors 3
    HBond acceptors 15
    Atoms 64
    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 canSAR779596.