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canSAR1098937
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NAMES
    SMILES
    Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2[nH]nc(-c3ccccc3)c2c1
    InChI
    InChI=1S/C35H31F3N6O/c1-23-8-10-27(19-26(23)11-9-24-18-30-32(25-6-4-3-5-7-25)41-42-33(30)39-21-24)34(45)40-29-13-12-28(31(20-29)35(36,37)38)22-44-16-14-43(2)15-17-44/h3-8,10,12-13,18-21H,14-17,22H2,1-2H3,(H,40,45)(H,39,41,42)
    MOLECULAR FORMULA
    C35H31F3N6O
    CROSS REFERENCES
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    canSAR1098937

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 608.25
    AlogP 6.35
    HBond donors 2
    HBond acceptors 7
    Atoms 76
    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 canSAR1098937.