1691062 logo
canSAR1691062
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1ccc(-c2nccnc2O[C@H]2C[C@@H](Nc3nc4ccccc4s3)C2)cn1
    InChI
    InChI=1S/C21H19N5OS/c1-13-6-7-14(12-24-13)19-20(23-9-8-22-19)27-16-10-15(11-16)25-21-26-17-4-2-3-5-18(17)28-21/h2-9,12,15-16H,10-11H2,1H3,(H,25,26)/t15-,16+
    MOLECULAR FORMULA
    C21H19N5OS
    CROSS REFERENCES
    1691062 logo

    canSAR1691062

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 389.13
    AlogP 4.48
    HBond donors 1
    HBond acceptors 6
    Atoms 47
    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 canSAR1691062.