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canSAR1111707
FEATURES
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NAMES
    SMILES
    CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(-c2ccccn2)s1
    InChI
    InChI=1S/C22H21N5OS/c1-22(2,3)15-9-4-5-12-18(15)28-19-16(11-8-14-24-19)25-21-27-26-20(29-21)17-10-6-7-13-23-17/h4-14H,1-3H3,(H,25,27)
    MOLECULAR FORMULA
    C22H21N5OS
    CROSS REFERENCES
    1111707 logo

    canSAR1111707

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.15
    AlogP 5.83
    HBond donors 1
    HBond acceptors 6
    Atoms 50
    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 canSAR1111707.