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canSAR1718765
FEATURES
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NAMES
    SMILES
    Cc1cc(Nc2ncc(-c3ccc4ccccc4n3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1
    InChI
    InChI=1S/C26H28N6O3/c1-14-9-18(10-15(2)28-14)29-26-27-12-19(21-8-7-16-5-3-4-6-20(16)30-21)25(32-26)31-22-11-17(13-33)23(34)24(22)35/h3-10,12,17,22-24,33-35H,11,13H2,1-2H3,(H2,27,28,29,31,32)/t17-,22-,23-,24+/m1/s1
    MOLECULAR FORMULA
    C26H28N6O3
    CROSS REFERENCES
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    canSAR1718765

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 472.22
    AlogP 2.96
    HBond donors 5
    HBond acceptors 9
    Atoms 63
    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 canSAR1718765.