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canSAR1831280
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NAMES
    SMILES
    CN(C[C@@H](Nc1ncnc2c1=CCCC=2C(N)=O)c1ccccc1)C1CC1
    InChI
    InChI=1S/C21H25N5O/c1-26(15-10-11-15)12-18(14-6-3-2-4-7-14)25-21-17-9-5-8-16(20(22)27)19(17)23-13-24-21/h2-4,6-7,9,13,15,18H,5,8,10-12H2,1H3,(H2,22,27)(H,23,24,25)/t18-/m1/s1
    MOLECULAR FORMULA
    C21H25N5O
    CROSS REFERENCES
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    canSAR1831280

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 363.21
    AlogP 0.93
    HBond donors 3
    HBond acceptors 6
    Atoms 52
    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 canSAR1831280.