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canSAR1445477
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NAMES
    SMILES
    C=CCn1c(C)cc(-c2csc(NC(=O)CCc3nc(O)c4ccccc4n3)n2)c1C
    InChI
    InChI=1S/C23H23N5O2S/c1-4-11-28-14(2)12-17(15(28)3)19-13-31-23(25-19)27-21(29)10-9-20-24-18-8-6-5-7-16(18)22(30)26-20/h4-8,12-13H,1,9-11H2,2-3H3,(H,24,26,30)(H,25,27,29)
    MOLECULAR FORMULA
    C23H23N5O2S
    CROSS REFERENCES
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    canSAR1445477

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.16
    AlogP 4.63
    HBond donors 2
    HBond acceptors 7
    Atoms 54
    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 canSAR1445477.