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canSAR1965364
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NAMES
    SMILES
    COCC(C)N[C@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1
    InChI
    InChI=1S/C21H27ClN6O2/c1-13(12-30-2)25-17-7-8-19(14(9-17)10-23)28-11-18(20(24)29)21(27-28)26-16-5-3-15(22)4-6-16/h3-6,11,13-14,17,19,25H,7-9,12H2,1-2H3,(H2,24,29)(H,26,27)/t13?,14-,17+,19?/m1/s1
    MOLECULAR FORMULA
    C21H27ClN6O2
    CROSS REFERENCES
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    canSAR1965364

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.19
    AlogP 3.24
    HBond donors 4
    HBond acceptors 8
    Atoms 57
    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 canSAR1965364.