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canSAR1716109
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NAMES
    SMILES
    Cc1ccc(NC(S)=NC2CC3CCCC(C2)N3Cc2ccco2)cc1
    InChI
    InChI=1S/C21H27N3OS/c1-15-7-9-16(10-8-15)22-21(26)23-17-12-18-4-2-5-19(13-17)24(18)14-20-6-3-11-25-20/h3,6-11,17-19H,2,4-5,12-14H2,1H3,(H2,22,23,26)
    MOLECULAR FORMULA
    C21H27N3OS
    CROSS REFERENCES
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    canSAR1716109

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 369.19
    AlogP 4.87
    HBond donors 1
    HBond acceptors 4
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1716109.