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canSAR503613
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NAMES
    SMILES
    CC(C)(O)C#Cc1cc2c(cc1Cl)NC(=O)Nc1cnc(C#N)c(n1)OCCCCCO2
    InChI
    InChI=1S/C22H22ClN5O4/c1-22(2,30)7-6-14-10-18-16(11-15(14)23)26-21(29)28-19-13-25-17(12-24)20(27-19)32-9-5-3-4-8-31-18/h10-11,13,30H,3-5,8-9H2,1-2H3,(H2,26,27,28,29)
    MOLECULAR FORMULA
    C22H22ClN5O4
    CROSS REFERENCES
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    canSAR503613

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.14
    AlogP 3.71
    HBond donors 3
    HBond acceptors 9
    Atoms 54
    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 canSAR503613.