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canSAR1020201
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NAMES
    SMILES
    CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(C(C)(C)C)cc4)nc31)[C@H](O)[C@@H]2O
    InChI
    InChI=1S/C26H30N6O3/c1-25(2,3)15-9-6-14(7-10-15)8-11-17-30-22(27-4)18-23(31-17)32(13-29-18)19-16-12-26(16,24(35)28-5)21(34)20(19)33/h6-7,9-10,13,16,19-21,33-34H,12H2,1-5H3,(H,28,35)(H,27,30,31)/t16-,19-,20+,21+,26+/m1/s1
    MOLECULAR FORMULA
    C26H30N6O3
    CROSS REFERENCES
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    canSAR1020201

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 474.24
    AlogP 1.59
    HBond donors 4
    HBond acceptors 9
    Atoms 65
    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 canSAR1020201.