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canSAR1063980
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NAMES
    SMILES
    CC(C)C[C@H](C(N)=O)N(CCSC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1
    InChI
    InChI=1S/C18H29ClN2O3S2/c1-13(2)12-16(17(20)22)21(10-11-25-18(3,4)5)26(23,24)15-8-6-14(19)7-9-15/h6-9,13,16H,10-12H2,1-5H3,(H2,20,22)/t16-/m1/s1
    MOLECULAR FORMULA
    C18H29ClN2O3S2
    CROSS REFERENCES
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    canSAR1063980

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.13
    AlogP 3.76
    HBond donors 2
    HBond acceptors 5
    Atoms 55
    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 canSAR1063980.