canSAR2175873
FEATURES
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NAMES
    SMILES
    N=C(O)n1cc(N=C(O)N2[C@H]3C[C@H]3C[C@@H]2C(O)=NCc2cccnc2)c2ccccc21
    InChI
    InChI=1S/C22H22N6O3/c23-21(30)27-12-16(15-5-1-2-6-17(15)27)26-22(31)28-18-8-14(18)9-19(28)20(29)25-11-13-4-3-7-24-10-13/h1-7,10,12,14,18-19H,8-9,11H2,(H2,23,30)(H,25,29)(H,26,31)/t14-,18-,19+/m0/s1
    MOLECULAR FORMULA
    C22H22N6O3
    CROSS REFERENCES
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    canSAR2175873
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight418.18
    AlogP3.54
    HBond donors4
    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 canSAR2175873.