canSAR538913
FEATURES
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NAMES
    SMILES
    CC1(C)N=C(N)N=C(N)N1c1ccc(C(c2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)c2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)cc1
    InChI
    InChI=1S/C34H43N15/c1-32(2)44-26(35)41-29(38)47(32)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)48-30(39)42-27(36)45-33(48,3)4)21-11-17-24(18-12-21)49-31(40)43-28(37)46-34(49,5)6/h7-18,25H,1-6H3,(H4,35,38,41,44)(H4,36,39,42,45)(H4,37,40,43,46)
    MOLECULAR FORMULA
    C34H43N15
    CROSS REFERENCES
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    canSAR538913
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight661.38
    AlogP2.42
    HBond donors12
    HBond acceptors15
    Atoms92
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR538913.