canSAR2100091
FEATURES
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NAMES
    SMILES
    CCNc1ncc2c(n1)N1CCC[C@H]1CN(c1cccn3c(=O)cc(C)nc13)C2=O
    InChI
    InChI=1S/C21H23N7O2/c1-3-22-21-23-11-15-18(25-21)26-8-4-6-14(26)12-28(20(15)30)16-7-5-9-27-17(29)10-13(2)24-19(16)27/h5,7,9-11,14H,3-4,6,8,12H2,1-2H3,(H,22,23,25)/t14-/m0/s1
    MOLECULAR FORMULA
    C21H23N7O2
    CROSS REFERENCES
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    canSAR2100091
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight405.19
    AlogP1.85
    HBond donors1
    HBond acceptors9
    Atoms53
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100091.