canSAR2175349
FEATURES
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NAMES
    SMILES
    Cn1ncc(-c2ccc(C(=O)N(c3ncccc3Cl)[C@H]3CCCNC3)cc2)c1C(=O)NO
    InChI
    InChI=1S/C22H23ClN6O3/c1-28-19(21(30)27-32)17(13-26-28)14-6-8-15(9-7-14)22(31)29(16-4-2-10-24-12-16)20-18(23)5-3-11-25-20/h3,5-9,11,13,16,24,32H,2,4,10,12H2,1H3,(H,27,30)/t16-/m0/s1
    MOLECULAR FORMULA
    C22H23ClN6O3
    CROSS REFERENCES
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    canSAR2175349
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight454.15
    AlogP2.65
    HBond donors3
    HBond acceptors9
    Atoms55
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2175349.