1716804 logo
canSAR1716804
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cnc(C(=O)Nc2cccc(C3(C4CCCCC4)CSC(N)=N3)c2)cn1
    InChI
    InChI=1S/C21H25N5O2S/c1-28-18-12-23-17(11-24-18)19(27)25-16-9-5-8-15(10-16)21(13-29-20(22)26-21)14-6-3-2-4-7-14/h5,8-12,14H,2-4,6-7,13H2,1H3,(H2,22,26)(H,25,27)
    MOLECULAR FORMULA
    C21H25N5O2S
    CROSS REFERENCES
    1716804 logo

    canSAR1716804

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 411.17
    AlogP 3.57
    HBond donors 3
    HBond acceptors 7
    Atoms 54
    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 canSAR1716804.