canSAR2163244
FEATURES
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NAMES
    SMILES
    CC(C)CN1C[C@@H](CCCCN)N=C(SCCC(=O)NN)c2nn(CC(C)C)cc21
    InChI
    InChI=1S/C21H39N7OS/c1-15(2)11-27-13-17(7-5-6-9-22)24-21(30-10-8-19(29)25-23)20-18(27)14-28(26-20)12-16(3)4/h14-17H,5-13,22-23H2,1-4H3,(H,25,29)/t17-/m1/s1
    MOLECULAR FORMULA
    C21H39N7OS
    CROSS REFERENCES
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    canSAR2163244
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight437.29
    AlogP2.37
    HBond donors5
    HBond acceptors8
    Atoms69
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2163244.