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canSAR1988408
FEATURES
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NAMES
    SMILES
    Cc1cc(N=S2(=O)CCCC2)cc2ncnc(Nc3ccc(F)cc3O[C@H](C)C(=O)N3CCCCC3)c12
    InChI
    InChI=1S/C27H32FN5O3S/c1-18-14-21(32-37(35)12-6-7-13-37)16-23-25(18)26(30-17-29-23)31-22-9-8-20(28)15-24(22)36-19(2)27(34)33-10-4-3-5-11-33/h8-9,14-17,19H,3-7,10-13H2,1-2H3,(H,29,30,31)/t19-/m1/s1
    MOLECULAR FORMULA
    C27H32FN5O3S
    CROSS REFERENCES
    1988408 logo

    canSAR1988408

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 525.22
    AlogP 5.49
    HBond donors 1
    HBond acceptors 8
    Atoms 69
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1988408.