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canSAR1063745
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NAMES
    SMILES
    C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](CN)c4ccc(Cl)cc4)CC3)c21
    InChI
    InChI=1S/C21H26ClN5O2/c1-13-10-17(28)19-18(13)20(25-12-24-19)26-6-8-27(9-7-26)21(29)16(11-23)14-2-4-15(22)5-3-14/h2-5,12-13,16-17,28H,6-11,23H2,1H3/t13-,16-,17-/m1/s1
    MOLECULAR FORMULA
    C21H26ClN5O2
    CROSS REFERENCES
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    canSAR1063745

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 415.18
    AlogP 2.06
    HBond donors 3
    HBond acceptors 7
    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 canSAR1063745.