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canSAR2086274
FEATURES
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NAMES
    SMILES
    CC(C)(C)C[C@@H](O)C(=O)N1[C@H](C(=O)NCc2cc(Cl)ccc2-n2cnnn2)C[C@H]2C[C@H]21
    InChI
    InChI=1S/C21H27ClN6O3/c1-21(2,3)9-18(29)20(31)28-16-7-12(16)8-17(28)19(30)23-10-13-6-14(22)4-5-15(13)27-11-24-25-26-27/h4-6,11-12,16-18,29H,7-10H2,1-3H3,(H,23,30)/t12-,16-,17+,18-/m1/s1
    MOLECULAR FORMULA
    C21H27ClN6O3
    CROSS REFERENCES
    2086274 logo

    canSAR2086274

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.18
    AlogP 1.72
    HBond donors 2
    HBond acceptors 9
    Atoms 58
    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 canSAR2086274.