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canSAR2047570
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NAMES
    SMILES
    C#CCCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(-n3ccnc3)cc1)CC2
    InChI
    InChI=1S/C30H27F3N6O2/c1-3-4-15-39-28(41)25-18-37(27(40)22-7-11-24(12-8-22)38-17-14-34-19-38)16-13-26(25)36-29(39)35-20(2)21-5-9-23(10-6-21)30(31,32)33/h1,5-12,14,17,19-20H,4,13,15-16,18H2,2H3,(H,35,36)/t20-/m0/s1
    MOLECULAR FORMULA
    C30H27F3N6O2
    CROSS REFERENCES
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    canSAR2047570

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 560.21
    AlogP 4.84
    HBond donors 1
    HBond acceptors 8
    Atoms 68
    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 canSAR2047570.