106661 logo
canSAR106661
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@@H](CC(=O)O)CC(=O)N1CCC2(CC1)CCN(c1ccc(C(=N)N)cc1)C2=O
    InChI
    InChI=1S/C21H28N4O4/c1-14(13-18(27)28)12-17(26)24-9-6-21(7-10-24)8-11-25(20(21)29)16-4-2-15(3-5-16)19(22)23/h2-5,14H,6-13H2,1H3,(H3,22,23)(H,27,28)/t14-/m1/s1
    MOLECULAR FORMULA
    C21H28N4O4
    CROSS REFERENCES
    106661 logo

    canSAR106661

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.21
    AlogP 1.82
    HBond donors 4
    HBond acceptors 8
    Atoms 57
    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 canSAR106661.