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canSAR1202068
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NAMES
    SMILES
    Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C#Cc3cccnc3O)CC[C@H]2C)c1
    InChI
    InChI=1S/C23H23N5O2/c1-16-5-10-21(28-25-12-13-26-28)20(14-16)23(30)27-15-18(7-6-17(27)2)8-9-19-4-3-11-24-22(19)29/h3-5,10-14,17-18H,6-7,15H2,1-2H3,(H,24,29)/t17-,18+/m1/s1
    MOLECULAR FORMULA
    C23H23N5O2
    CROSS REFERENCES
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    canSAR1202068

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.19
    AlogP 2.97
    HBond donors 1
    HBond acceptors 7
    Atoms 53
    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 canSAR1202068.