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canSAR462343
FEATURES
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NAMES
    SMILES
    N=C(N)Nc1ccc(O[C@H]2C[C@@H](Oc3ccc(NC(=N)N)c4ccccc34)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)c(N)c1
    InChI
    InChI=1S/C26H35N13O2/c27-15-9-12(36-23(28)29)5-7-20(15)41-22-11-21(17(38-25(32)33)10-18(22)39-26(34)35)40-19-8-6-16(37-24(30)31)13-3-1-2-4-14(13)19/h1-9,17-18,21-22H,10-11,27H2,(H4,28,29,36)(H4,30,31,37)(H4,32,33,38)(H4,34,35,39)/t17-,18+,21-,22+/m1/s1
    MOLECULAR FORMULA
    C26H35N13O2
    CROSS REFERENCES
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    canSAR462343

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 561.30
    AlogP 0.72
    HBond donors 18
    HBond acceptors 15
    Atoms 76
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR462343.