canSAR2255642
FEATURES
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NAMES
    SMILES
    Nc1nc(NCCNc2ncc(N3CCNCC3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]
    InChI
    InChI=1S/C21H23Cl2N9O2/c22-13-1-2-14(15(23)11-13)19-17(31-9-7-25-8-10-31)12-28-21(30-19)27-6-5-26-18-4-3-16(32(33)34)20(24)29-18/h1-4,11-12,25H,5-10H2,(H3,24,26,29)(H,27,28,30)
    MOLECULAR FORMULA
    C21H23Cl2N9O2
    CROSS REFERENCES
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    canSAR2255642
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight503.14
    AlogP3.27
    HBond donors5
    HBond acceptors11
    Atoms57
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2255642.