558607 logo
canSAR558607
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    NC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCC/N=C(\N)N[N+](=O)[O-])CN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C11H22N8O4.2C2HF3O2/c12-7(2-1-3-15-11(14)18-19(22)23)10(21)17-6-4-8(9(13)20)16-5-6;2*3-2(4,5)1(6)7/h6-8,16H,1-5,12H2,(H2,13,20)(H,17,21)(H3,14,15,18);2*(H,6,7)/t6-,7+,8+;;/m1../s1
    MOLECULAR FORMULA
    C15H24F6N8O8
    CROSS REFERENCES
    558607 logo

    canSAR558607

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.16
    AlogP -2.21
    HBond donors 11
    HBond acceptors 16
    Atoms 61
    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 canSAR558607.