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canSAR1621321
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NAMES
    SMILES
    C=CCOc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1OC
    InChI
    InChI=1S/C22H23N5O4S/c1-3-10-31-16-7-6-14(12-17(16)30-2)11-15-20(23)27-22(24-21(15)29)32-18(25-27)13-19(28)26-8-4-5-9-26/h3,6-7,11-12,23H,1,4-5,8-10,13H2,2H3/b15-11-,23-20?
    MOLECULAR FORMULA
    C22H23N5O4S
    CROSS REFERENCES
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    canSAR1621321

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.15
    AlogP 2.89
    HBond donors 1
    HBond acceptors 9
    Atoms 55
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1621321.