1206476 logo
canSAR1206476
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=CCc1c(-c2ccccc2)n(C2=NNC(=S)NC2N)c2ccc(SC)cc12
    InChI
    InChI=1S/C21H21N5S2/c1-3-7-15-16-12-14(28-2)10-11-17(16)26(18(15)13-8-5-4-6-9-13)20-19(22)23-21(27)25-24-20/h3-6,8-12,19H,1,7,22H2,2H3,(H2,23,25,27)
    MOLECULAR FORMULA
    C21H21N5S2
    CROSS REFERENCES
    1206476 logo

    canSAR1206476

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.12
    AlogP 3.68
    HBond donors 4
    HBond acceptors 5
    Atoms 49
    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 canSAR1206476.