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canSAR1971857
FEATURES
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NAMES
    SMILES
    CN(C)CCn1cnc2cnc3ccc(C#CCNC(=O)c4cncn(Cc5ccc(F)c(F)c5)c4=O)cc3c21
    InChI
    InChI=1S/C29H25F2N7O2/c1-36(2)10-11-37-18-35-26-15-34-25-8-6-19(12-21(25)27(26)37)4-3-9-33-28(39)22-14-32-17-38(29(22)40)16-20-5-7-23(30)24(31)13-20/h5-8,12-15,17-18H,9-11,16H2,1-2H3,(H,33,39)
    MOLECULAR FORMULA
    C29H25F2N7O2
    CROSS REFERENCES
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    canSAR1971857

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 541.20
    AlogP 2.81
    HBond donors 1
    HBond acceptors 9
    Atoms 65
    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 canSAR1971857.