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canSAR1024765
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NAMES
    SMILES
    CNC(=O)c1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1
    InChI
    InChI=1S/C25H25N5O2/c1-26-25(31)18-11-9-17(10-12-18)22-20(16-6-3-2-4-7-16)21-23(28-15-29-24(21)30-22)27-14-19-8-5-13-32-19/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,26,31)(H2,27,28,29,30)/t19-/m0/s1
    MOLECULAR FORMULA
    C25H25N5O2
    CROSS REFERENCES
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    canSAR1024765

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.20
    AlogP 4.24
    HBond donors 3
    HBond acceptors 7
    Atoms 57
    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 canSAR1024765.