canSAR2100097
FEATURES
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NAMES
    SMILES
    COc1cccc(-c2nnc([C@@H]3CCCN3C(=O)c3cc(C)ccc3-n3nccn3)o2)c1
    InChI
    InChI=1S/C23H22N6O3/c1-15-8-9-19(29-24-10-11-25-29)18(13-15)23(30)28-12-4-7-20(28)22-27-26-21(32-22)16-5-3-6-17(14-16)31-2/h3,5-6,8-11,13-14,20H,4,7,12H2,1-2H3/t20-/m0/s1
    MOLECULAR FORMULA
    C23H22N6O3
    CROSS REFERENCES
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    canSAR2100097
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight430.18
    AlogP3.61
    HBond donors0
    HBond acceptors9
    Atoms54
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100097.