canSAR2166707
FEATURES
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NAMES
    SMILES
    CC1[C@H](CN=C(O)[C@H]2C[C@@H]3C[C@@H]3N2C(=O)Cn2nc(C(=N)O)c3ccncc32)C1(Cl)Cl
    InChI
    InChI=1S/C20H22Cl2N6O3/c1-9-12(20(9,21)22)6-25-19(31)14-5-10-4-13(10)28(14)16(29)8-27-15-7-24-3-2-11(15)17(26-27)18(23)30/h2-3,7,9-10,12-14H,4-6,8H2,1H3,(H2,23,30)(H,25,31)/t9?,10-,12-,13-,14+/m0/s1
    MOLECULAR FORMULA
    C20H22Cl2N6O3
    CROSS REFERENCES
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    canSAR2166707
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight464.11
    AlogP2.70
    HBond donors3
    HBond acceptors9
    Atoms53
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2166707.