canSAR2095598
FEATURES
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NAMES
    SMILES
    C/C(=N\NC(=N)N/N=C(\C)c1ccc(N2CCNCC2)cc1)c1ccc(N2CCNCC2)cc1
    InChI
    InChI=1S/C25H35N9/c1-19(21-3-7-23(8-4-21)33-15-11-27-12-16-33)29-31-25(26)32-30-20(2)22-5-9-24(10-6-22)34-17-13-28-14-18-34/h3-10,27-28H,11-18H2,1-2H3,(H3,26,31,32)/b29-19+,30-20+
    MOLECULAR FORMULA
    C25H35N9
    CROSS REFERENCES
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    canSAR2095598
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight461.30
    AlogP1.77
    HBond donors5
    HBond acceptors9
    Atoms69
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095598.