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canSAR1015076
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NAMES
    SMILES
    CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc(C#N)cc2Cl)s1
    InChI
    InChI=1S/C22H24ClN5O3S/c1-22(2,3)17-11-14(20(30)28-8-6-18(29)25-7-9-28)19(32-17)27-21(31)26-16-5-4-13(12-24)10-15(16)23/h4-5,10-11H,6-9H2,1-3H3,(H,25,29)(H2,26,27,31)
    MOLECULAR FORMULA
    C22H24ClN5O3S
    CROSS REFERENCES
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    canSAR1015076

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.13
    AlogP 4.18
    HBond donors 3
    HBond acceptors 8
    Atoms 56
    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 canSAR1015076.