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canSAR2016458
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NAMES
    SMILES
    CC1=CC(C)(C)N(C(=O)CSc2nccn2C)c2cc(C)ccc21
    InChI
    InChI=1S/C19H23N3OS/c1-13-6-7-15-14(2)11-19(3,4)22(16(15)10-13)17(23)12-24-18-20-8-9-21(18)5/h6-11H,12H2,1-5H3
    MOLECULAR FORMULA
    C19H23N3OS
    CROSS REFERENCES
    2016458 logo

    canSAR2016458

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 341.16
    AlogP 4.05
    HBond donors 0
    HBond acceptors 4
    Atoms 47
    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 canSAR2016458.