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canSAR1648516
FEATURES
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NAMES
    SMILES
    CCCC1(CCC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(C)C3)c2cccc(F)c2O1
    InChI
    InChI=1S/C25H31FN4O3/c1-4-11-25(12-5-2)14-21(18-7-6-8-19(26)22(18)33-25)28-23(31)27-17-10-9-16-15-30(3)24(32)29-20(16)13-17/h6-10,13,21H,4-5,11-12,14-15H2,1-3H3,(H,29,32)(H2,27,28,31)/t21-/m1/s1
    MOLECULAR FORMULA
    C25H31FN4O3
    CROSS REFERENCES
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    canSAR1648516

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.24
    AlogP 5.79
    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 canSAR1648516.