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canSAR2020108
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NAMES
    SMILES
    Cc1ncnc(N2CCC(CNC(=O)CC3CCCC3)CC2)c1C#Cc1ccc(N)nc1
    InChI
    InChI=1S/C25H32N6O/c1-18-22(8-6-20-7-9-23(26)27-15-20)25(30-17-29-18)31-12-10-21(11-13-31)16-28-24(32)14-19-4-2-3-5-19/h7,9,15,17,19,21H,2-5,10-14,16H2,1H3,(H2,26,27)(H,28,32)
    MOLECULAR FORMULA
    C25H32N6O
    CROSS REFERENCES
    2020108 logo

    canSAR2020108

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.26
    AlogP 3.07
    HBond donors 3
    HBond acceptors 7
    Atoms 64
    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 canSAR2020108.