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canSAR1723456
FEATURES
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NAMES
    SMILES
    CC(=O)c1cn(CC(=O)N2[C@H](C(=O)N[C@H](C)c3cccc(Cl)c3F)C[C@H]3C[C@H]32)c2cnccc12
    InChI
    InChI=1S/C25H24ClFN4O3/c1-13(16-4-3-5-19(26)24(16)27)29-25(34)21-9-15-8-20(15)31(21)23(33)12-30-11-18(14(2)32)17-6-7-28-10-22(17)30/h3-7,10-11,13,15,20-21H,8-9,12H2,1-2H3,(H,29,34)/t13-,15-,20-,21+/m1/s1
    MOLECULAR FORMULA
    C25H24ClFN4O3
    CROSS REFERENCES
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    canSAR1723456

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.15
    AlogP 3.90
    HBond donors 1
    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 canSAR1723456.