1726842 logo
canSAR1726842
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COCCCNC(=O)C1CCCN(c2nn3cc(-c4ccc(C)cc4)nc3s2)C1
    InChI
    InChI=1S/C21H27N5O2S/c1-15-6-8-16(9-7-15)18-14-26-20(23-18)29-21(24-26)25-11-3-5-17(13-25)19(27)22-10-4-12-28-2/h6-9,14,17H,3-5,10-13H2,1-2H3,(H,22,27)
    MOLECULAR FORMULA
    C21H27N5O2S
    CROSS REFERENCES
    1726842 logo

    canSAR1726842

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.19
    AlogP 3.14
    HBond donors 1
    HBond acceptors 7
    Atoms 56
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1726842.