canSAR2100426
FEATURES
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NAMES
    SMILES
    Cc1ccc(N=c2[nH][nH]c3cc(NC(O)=N[C@@H](C)c4ccccc4)ncc23)cn1
    InChI
    InChI=1S/C21H21N7O/c1-13-8-9-16(11-22-13)25-20-17-12-23-19(10-18(17)27-28-20)26-21(29)24-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H2,25,27,28)(H2,23,24,26,29)/t14-/m0/s1
    MOLECULAR FORMULA
    C21H21N7O
    CROSS REFERENCES
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    canSAR2100426
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight387.18
    AlogP3.91
    HBond donors4
    HBond acceptors8
    Atoms50
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100426.