canSAR181040
FEATURES
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NAMES
    SMILES
    C[C@H](Nc1cc(N2CC[C@@H](O)C2)nc(-n2cnc3ccncc32)n1)c1ccccc1
    InChI
    InChI=1S/C22H23N7O/c1-15(16-5-3-2-4-6-16)25-20-11-21(28-10-8-17(30)13-28)27-22(26-20)29-14-24-18-7-9-23-12-19(18)29/h2-7,9,11-12,14-15,17,30H,8,10,13H2,1H3,(H,25,26,27)/t15-,17+/m0/s1
    MOLECULAR FORMULA
    C22H23N7O
    CROSS REFERENCES
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    canSAR181040
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight401.20
    AlogP2.95
    HBond donors2
    HBond acceptors8
    Atoms53
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR181040.