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canSAR1089218
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NAMES
    SMILES
    CC#CCn1c(N2CCC[C@@H](N)C2)nc2ccn(Cc3ccnc4ccccc34)c2c1=O
    InChI
    InChI=1S/C25H26N6O/c1-2-3-14-31-24(32)23-22(28-25(31)30-13-6-7-19(26)17-30)11-15-29(23)16-18-10-12-27-21-9-5-4-8-20(18)21/h4-5,8-12,15,19H,6-7,13-14,16-17,26H2,1H3/t19-/m1/s1
    MOLECULAR FORMULA
    C25H26N6O
    CROSS REFERENCES
    1089218 logo

    canSAR1089218

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.22
    AlogP 2.75
    HBond donors 2
    HBond acceptors 7
    Atoms 58
    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 canSAR1089218.