canSAR864622
FEATURES
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NAMES
    SMILES
    CC(=NN=C(N)N)c1cc(NC(=O)[C@H](N)CCCN=C(N)N)cc(C(C)=NN=C(N)N)c1
    InChI
    InChI=1S/C18H31N13O/c1-9(28-30-17(22)23)11-6-12(10(2)29-31-18(24)25)8-13(7-11)27-15(32)14(19)4-3-5-26-16(20)21/h6-8,14H,3-5,19H2,1-2H3,(H,27,32)(H4,20,21,26)(H4,22,23,30)(H4,24,25,31)/t14-/m1/s1
    MOLECULAR FORMULA
    C18H31N13O
    CROSS REFERENCES
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    canSAR864622
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight445.28
    AlogP-2.00
    HBond donors15
    HBond acceptors14
    Atoms63
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR864622.