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canSAR1829946
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NAMES
    SMILES
    CN1C(=O)NCc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(Cl)ccc43)cccc21
    InChI
    InChI=1S/C21H23ClN4O3/c1-21(2)10-16(13-8-7-12(22)9-18(13)29-21)25-19(27)24-15-5-4-6-17-14(15)11-23-20(28)26(17)3/h4-9,16H,10-11H2,1-3H3,(H,23,28)(H2,24,25,27)/t16-/m1/s1
    MOLECULAR FORMULA
    C21H23ClN4O3
    CROSS REFERENCES
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    canSAR1829946

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.15
    AlogP 4.42
    HBond donors 3
    HBond acceptors 7
    Atoms 52
    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 canSAR1829946.