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canSAR1587513
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NAMES
    SMILES
    Cc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@H](O)[C@H](N)C3)n2)c1
    InChI
    InChI=1S/C25H27FN4O2/c1-14-6-7-19(26)18(10-14)21-4-3-5-22(29-21)25(32)30-23-13-28-9-8-17(23)16-11-15(2)24(31)20(27)12-16/h3-10,13,15-16,20,24,31H,11-12,27H2,1-2H3,(H,30,32)/t15-,16+,20+,24-/m0/s1
    MOLECULAR FORMULA
    C25H27FN4O2
    CROSS REFERENCES
    1587513 logo

    canSAR1587513

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 434.21
    AlogP 4.05
    HBond donors 4
    HBond acceptors 6
    Atoms 59
    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 canSAR1587513.